SCHEMBL3140348

SCHEMBL3140348

[c]1ccccc1-c1n[nH]c2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.56
KDM4E B2RXH2 3/20 0.56
GAA P10253 2/20 0.56
ALDH1A1 P00352 2/20 0.56
TTK P33981 2/20 0.56
ALPL P05186 1/20 0.56
HPGD P15428 1/20 0.56
MAPK10 P53779 1/20 0.56
ITK Q08881 6/20 0.50
LRRK2 Q5S007 2/20 0.49
FGFR1 P11362 1/20 0.46
FLT1 P17948 1/20 0.46
AURKA O14965 1/20 0.46
PDPK1 O15530 1/20 0.46
CYP3A4 P08684 1/20 0.46
MAP2K4 P45985 2/20 0.45
NPC1 O15118 1/20 0.45
TP53 P04637 1/20 0.45
RAB9A P51151 1/20 0.45
HTR2A P28223 1/20 0.43

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
SCHEMBL1672674 0.78 IDO1 (0.78) IDO1KDM4EGAAALDH1A1TTK
SCHEMBL8777058 0.77 IDO1 (0.55) IDO1KDM4EGAAALDH1A1TTK
SCHEMBL3681512 0.76 IDO1 (0.53) IDO1KDM4EGAAALDH1A1TTK
SCHEMBL15227249 0.76 MAPK1 (0.52) IDO1KDM4EGAAALDH1A1TTK
SCHEMBL16937122 0.74 IDO1 (0.71) IDO1KDM4EGAAALDH1A1TTK
SCHEMBL16720667 0.73 IDO1 (0.50) IDO1KDM4EGAAALDH1A1TTK
SCHEMBL855531 0.72 ALDH1A1 (1.00) IDO1KDM4EGAAALDH1A1TTK
SCHEMBL30768403 0.72 ALDH1A1 (1.00) IDO1KDM4EGAAALDH1A1TTK
SCHEMBL2072831 0.71 DYRK1A (0.34) KDM4EALDH1A1AURKAMAPK1
SCHEMBL6112494 0.70 ITK (0.51) IDO1KDM4EGAAALDH1A1TTK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3778576-B1 2-CYANOPYRIMIDIN-4-YL CARBAMATE OR UREA DERIVATIVE OR SALT THEREOF, AND PHARMACEUTICAL COMPOSITION INCLUDING SAME HANLIM PHARMACEUTICAL CO LTD (KR) 2024-04-17 EP claimed
WO-2024035622-A1 INHIBITORS OF cGAS ACTIVITY AS THERAPEUTIC AGENTS BELLBROOK LABS, LLC (US) 2024-02-15 WO claimed
US-20210047301-A1 2-CYANOPYRIMIDIN-4-YL CARBAMATE OR UREA DERIVATIVE OR SALT THEREOF, AND PHARMACEUTICAL COMPOSITION INCLUDING SAME HANLIM PHARMACEUTICAL CO., LTD. (KR) 2021-02-18 US claimed
EP-3778576-A1 2-CYANOPYRIMIDIN-4-YL CARBAMATE OR UREA DERIVATIVE OR SALT THEREOF, AND PHARMACEUTICAL COMPOSITION INCLUDING SAME Hanlim Pharmaceutical Co., Ltd. (KR) 2021-02-17 EP claimed
WO-2019190117-A1 2-CYANOPYRIMIDIN-4-YL CARBAMATE OR UREA DERIVATIVE OR SALT THEREOF, AND PHARMACEUTICAL COMPOSITION INCLUDING SAME 한림제약(주) 2019-10-03 WO claimed
EP-3097089-A1 ARYL AND ARYLALKYL SUBSTITUTED PYRAZOLYL AND PYRIMIDINYL TRICYCLIC ENONES AS ANTIOXIDANT INFLAMMATION MODULATORS AbbVie Inc. (US) 2016-11-30 EP claimed
WO-2015112792-A1 ARYL AND ARYLALKYL SUBSTITUTED PYRAZOLYL AND PYRIMIDINYL TRICYCLIC ENONES AS ANTIOXIDANT INFLAMMATION MODULATORS ABBVIE INC. (US) 2015-07-30 WO claimed
EP-3778576-B1 2-CYANOPYRIMIDIN-4-YL CARBAMATE OR UREA DERIVATIVE OR SALT THEREOF, AND PHARMACEUTICAL COMPOSITION INCLUDING SAME HANLIM PHARMACEUTICAL CO LTD (KR) 2024-04-17 EP disclosed
WO-2024035622-A1 INHIBITORS OF cGAS ACTIVITY AS THERAPEUTIC AGENTS BELLBROOK LABS, LLC (US) 2024-02-15 WO disclosed
US-20230201161-A1 Combination comprising HDAC inhibitor, LAG-3 inhibitor and a PD-1 inhibitor or PD-L1 inhibitor for cancer treatment 4SC AG (DE) 2023-06-29 US disclosed
US-20210145799-A1 PHARMACEUTICAL COMBINATION PRODUCTS COMPRISING A HISTONE DEACETYLASE (HDAC) INHIBITOR AND A TLR7 AGONIST AND/OR TLR8 AGONIST FOR THE TREATMENT OF CANCER 4SC AG (DE) 2021-05-20 US disclosed
US-20210113528-A1 Combination comprising HDAC inhibitor and CD137 agonist for cancer therapy 4SC AG (DE) 2021-04-22 US disclosed
WO-2021064188-A1 COMBINATION COMPRISING HDAC INHIBITOR, CTLA-4 INHIBITOR AND A PD-1 INHIBITOR OR PD-L1 INHIBITOR FOR CANCER TREATMENT 4SC AG (DE) 2021-04-08 WO disclosed
CN-101137623-A N-sulphonylpyrroles and their use as histone deacetylase inhibitors NYCOMED GMBH (DE) 2008-03-05 CN disclosed
EP-1861365-A1 N-SULPHONYLPYRROLES AND THEIR USE AS HISTONE DEACETYLASE INHIBITORS Nycomed GmbH (DE) 2007-12-05 EP disclosed
WO-2006097474-A1 N-SULPHONYLPYRROLES AND THEIR USE AS HISTONE DEACETYLASE INHIBITORS NYCOMED GMBH (DE) 2006-09-21 WO disclosed
EP-1532136-A1 PYRIDAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LTD. (GB) 2005-05-25 EP disclosed
WO-2004014891-A1 PYRIDAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LIMITED (GB) 2004-02-19 WO disclosed
CN-1284948-A Indazole bioisostere replacement of catechol in therapeutically active compounds PFIZER PROD INC (US) 2001-02-21 CN disclosed
EP-0538262-A1 N-DIMETHOXY PHENYL ALKYL-N'-IMIDAZOLYL PHENYL AMIDINE DERIVATIVES AND PROCESS THEREOF IL YANG PHARM. CO., LTD. (KR) 1993-04-28 EP 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 (4 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-20210145799-A1 PHARMACEUTICAL COMBINATION PRODUCTS COMPRISING A HISTONE DEACETYLASE (HDAC) INHIBITOR AND A TLR7 AGONIST AND/OR TLR8 AGONIST FOR THE TREATMENT OF CANCER HDAC8, TLR8, TLR7 IDO1 657/4885KDM4E 319/4885GAA 994/4885
US-20210113528-A1 Combination comprising HDAC inhibitor and CD137 agonist for cancer therapy HDAC7, HDAC1, HDAC11 IDO1 3806/4885KDM4E 786/4885GAA 1810/4885
US-20210047301-A1 2-CYANOPYRIMIDIN-4-YL CARBAMATE OR UREA DERIVATIVE OR SALT THEREOF, AND PHARMACEUTICAL COMPOSITION INCLUDING SAME CTSK, CTSS, CTSZ IDO1 4119/4885KDM4E 290/4885GAA 231/4885
US-20230201161-A1 Combination comprising HDAC inhibitor, LAG-3 inhibitor and a PD-1 inhibitor or PD-L1 inhibitor for cancer treatment HDAC1, HDAC3, HDAC11 IDO1 82/4885KDM4E 126/4885GAA 424/4885

“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.