SCHEMBL4553222

SCHEMBL4553222

COc1cc2[nH]c(=O)ccc2cc1Br

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRIN2D O15399 2/20 0.57
▸ GRIN3B O60391 2/20 0.57
▸ GRIN1 Q05586 2/20 0.57
▸ GRIN2A Q12879 2/20 0.57
▸ GRIN2B Q13224 2/20 0.57
▸ GRIN2C Q14957 2/20 0.57
▸ GRIN3A Q8TCU5 2/20 0.57
▸ AXL P30530 1/20 0.49
▸ CA12 O43570 3/20 0.46
▸ CA9 Q16790 3/20 0.46
▸ LMNA P02545 3/20 0.44
▸ MAPT P10636 2/20 0.44
▸ OGT O15294 1/20 0.44
▸ TP53 P04637 1/20 0.44
▸ F11 P03951 1/20 0.42
▸ MAPK1 P28482 1/20 0.41
▸ CA1 P00915 1/20 0.39
▸ CA3 P07451 1/20 0.39
▸ CA4 P22748 1/20 0.39
▸ CA6 P23280 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1055214 0.86 GRIN2D (0.53) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL22324242 0.83 CA12 (0.41) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL31475450 0.81 CA12 (0.51) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL19677151 0.80 CA12 (0.46) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL1081628 0.80 CA12 (0.46) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL16431845 0.80 F11 (0.50) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL18359588 0.79 GRIN2D (0.71) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL4553365 0.78 MAPT (0.50) CA12CA9LMNAMAPTOGT
SCHEMBL30908253 0.78 CA12 (0.51) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL16431802 0.78 CA12 (0.44) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3876928-B1 INHIBITORS OF HISTONE DEACETYLASE USEFUL FOR THE TREATMENT OR PREVENTION OF HIV INFECTION MERCK SHARP & DOHME LLC (US) 2024-10-23 — — EP disclosed
US-20240009189-A1 1,4-DISUBSTITUTED PYRIDAZINE QUINOLNE ANALOGS THERE OF AND METHODS FOR TREATING SMN-DEFICIENCY-RELATED CONDITIONS NOVARTIS AG (CH) 2024-01-11 — — US disclosed
US-11672799-B2 1,4-disubstituted pyridazine quinolne analogs there of and methods for treating SMN-deficiency-related conditions NOVARTIS AG (CH) 2023-06-13 — — US disclosed
EP-4105208-A1 1,4-DISUBSTITUTED PYRIDAZINE DERIVATIVES AND THEIR USE FOR TREATING SMN-DEFICIENCY-RELATED CONDITIONS Novartis AG (CH) 2022-12-21 — — EP disclosed
EP-3027600-B1 1,4-DISUBSTITUTED PYRIDAZINE DERIVATIVES AND THEIR USE FOR TREATING SMN-DEFICIENCY-RELATED CONDITIONS NOVARTIS AG (CH) 2022-04-06 — — EP disclosed
US-20210403479-A1 INHIBITORS OF HISTONE DEACETYLASE USEFUL FOR THE TREATMENT OR PREVENTION OF HIV INFECTION MERCK SHARP & DOHME CORP. (US) 2021-12-30 — — US disclosed
EP-3876928-A2 INHIBITORS OF HISTONE DEACETYLASE USEFUL FOR THE TREATMENT OR PREVENTION OF HIV INFECTION Merck Sharp & Dohme Corp. (US) 2021-09-15 — — EP disclosed
US-10590118-B2 Bicyclic heterocyclic derivatives as bromodomain inhibitors ORION CORPORATION (FI) 2020-03-17 — — US disclosed
US-20190160062-A1 1,4-DISUBSTITUTED PYRIDAZINE QUINOLNE ANALOGS THERE OF AND METHODS FOR TREATING SMN-DEFICIENCY-RELATED CONDITIONS NOVARTIS AG (CH) 2019-05-30 — — US disclosed
US-20180339982-A1 BICYCLIC HETEROCYCLIC DERIVATIVES AS BROMODOMAIN INHIBITORS AURIGENE ONCOLOGY LIMITED (IN) 2018-11-29 — — US disclosed
CN-105636953-A 1,4-disubstituted pyridazine derivatives and their use for treating smn-deficiency-related conditions NOVARTIS AG 2016-06-01 — — CN disclosed
WO-2016034512-A1 QUINOLONES AS INHIBITORS OF CLASS IV BROMODOMAIN PROTEINS UCL BUSINESS PLC (GB) 2016-03-10 — — WO disclosed
WO-2015104653-A1 BICYCLIC HETEROCYCLIC DERIVATIVES AS BROMODOMAIN INHIBITORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2015-07-16 — — WO disclosed
WO-2015104653-A1 BICYCLIC HETEROCYCLIC DERIVATIVES AS BROMODOMAIN INHIBITORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2015-07-16 — — WO disclosed
WO-2015017589-A1 1,4-DISUBSTITUTED PYRIDAZINE DERIVATIVES AND THEIR USE FOR TREATING SMN-DEFICIENCY-RELATED CONDITIONS NOVARTIS AG (CH) 2015-02-05 — — WO disclosed
US-20140303182-A1 PHARMACEUTICALLY ACCEPTABLE SALTS OF QUINOLINONE COMPOUNDS HAVING IMPROVED PHARMACEUTICAL PROPERTIES NOVARTIS AG (CH) 2014-10-09 — — US disclosed
US-20130338171-A1 Pharmaceutically Acceptable Salts of Quinolinone Compounds Having Improved Pharmaceutical Properties NOVARTIS AG (CH) 2013-12-19 — — US disclosed
US-20130018058-A1 PHARMACEUTICALLY ACCEPTABLE SALTS OF QUINOLINONE COMPOUNDS HAVING IMPROVED PHARMACEUTICAL PROPERTIES CAI SHAOPEI (US) 2013-01-17 — — US disclosed
US-20090181979-A1 PHARMACEUTICALLY ACCEPTABLE SALTS OF QUINOLINONE COMPOUNDS HAVING IMPROVED PHARMACEUTICAL PROPERTIES NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2009-07-16 — — US disclosed
US-20050209247-A1 Lactate salt of 4-amino-5-fluoro-3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]quinolin-2(1H)-one; improved water solubility and physicochemical properties (e.g., stability, hygroscopicity, crystallinity, and compactibility); vascular endothelial growth factor receptor tyrosine kinase inhibitors CHIRON CORPORATION 2005-09-22 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (11 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20210403479-A1 INHIBITORS OF HISTONE DEACETYLASE USEFUL FOR THE TREATMENT OR PREVENTION OF HIV INFECTION HDAC1, HDAC11, HDAC3 GRIN2D 4003/4885GRIN3B 2264/4885GRIN1 1212/4885
US-20240009189-A1 1,4-DISUBSTITUTED PYRIDAZINE QUINOLNE ANALOGS THERE OF AND METHODS FOR TREATING SMN-DEFICIENCY-RELATED CONDITIONS SMN1; SMN2, CLN6, PMP22 GRIN2D 2591/4885GRIN3B 3619/4885GRIN1 2078/4885
US-20180339982-A1 BICYCLIC HETEROCYCLIC DERIVATIVES AS BROMODOMAIN INHIBITORS BRD1, BRD2, BRD3 GRIN2D 2363/4885GRIN3B 3969/4885GRIN1 1977/4885
US-20130338171-A1 Pharmaceutically Acceptable Salts of Quinolinone Compounds Having Improved Pharmaceutical Properties H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, RAB14, SLC13A3 GRIN2D 2912/4885GRIN3B 3219/4885GRIN1 2355/4885
US-20190160062-A1 1,4-DISUBSTITUTED PYRIDAZINE QUINOLNE ANALOGS THERE OF AND METHODS FOR TREATING SMN-DEFICIENCY-RELATED CONDITIONS SMN1; SMN2, CLN6, PMP22 GRIN2D 2591/4885GRIN3B 3619/4885GRIN1 2078/4885
US-10590118-B2 Bicyclic heterocyclic derivatives as bromodomain inhibitors BRD1, BRD2, BRD3 GRIN2D 2363/4885GRIN3B 3969/4885GRIN1 1977/4885
US-11672799-B2 1,4-disubstituted pyridazine quinolne analogs there of and methods for treating SMN-deficiency-related conditions SMN1; SMN2, CLN6, PMP22 GRIN2D 2591/4885GRIN3B 3619/4885GRIN1 2078/4885
US-20090181979-A1 PHARMACEUTICALLY ACCEPTABLE SALTS OF QUINOLINONE COMPOUNDS HAVING IMPROVED PHARMACEUTICAL PROPERTIES H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, RAB14, SLC13A3 GRIN2D 2912/4885GRIN3B 3219/4885GRIN1 2355/4885
US-20050209247-A1 Lactate salt of 4-amino-5-fluoro-3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]quinolin-2(1H)-one; improved water solubility and physicochemical properties (e.g., stability, hygroscopicity, crystallinity, and compactibility); vascular endothelial growth factor receptor tyrosine kinase inhibitors KDR, FLT4, FLT1 GRIN2D 1834/4885GRIN3B 2264/4885GRIN1 2099/4885
US-20140303182-A1 PHARMACEUTICALLY ACCEPTABLE SALTS OF QUINOLINONE COMPOUNDS HAVING IMPROVED PHARMACEUTICAL PROPERTIES H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, RAB14, SLC13A3 GRIN2D 2912/4885GRIN3B 3219/4885GRIN1 2355/4885
US-20130018058-A1 PHARMACEUTICALLY ACCEPTABLE SALTS OF QUINOLINONE COMPOUNDS HAVING IMPROVED PHARMACEUTICAL PROPERTIES H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, RAB14, SLC13A3 GRIN2D 2912/4885GRIN3B 3219/4885GRIN1 2355/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

Send feedback