SCHEMBL8514116

SCHEMBL8514116

COc1ncc(Cl)cc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 4/20 0.44
LMNA P02545 3/20 0.41
CHUK O15111 1/20 0.40
MERTK Q12866 1/20 0.40
TSHR P16473 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
CYP2C9 P11712 1/20 0.40
APEX1 P27695 1/20 0.40
MAPK1 P28482 3/20 0.39
MAPT P10636 3/20 0.39
POLB P06746 1/20 0.39
AHR P35869 1/20 0.38
JAK2 O60674 1/20 0.38
S1PR4 O95977 1/20 0.38
HSP90AA1 P07900 1/20 0.38
S1PR1 P21453 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
NPC1 O15118 1/20 0.37
HPGD P15428 1/20 0.37

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
SCHEMBL17035200 0.83 MAPT (0.42) PIN1LMNACHUKSMN1; SMN2MAPK1
SCHEMBL18839589 0.83 PLAU (0.41) PIN1LMNACHUKMAPTPOLB
SCHEMBL19171744 0.82 PDK1 (0.39) PIN1CHUKTSHRMAPK1POLB
SCHEMBL16322862 0.81 MAPT (0.39) PIN1LMNACHUKMAPK1MAPT
SCHEMBL9178607 0.81 ALDH1A1 (0.46) LMNATSHRMAPK1MAPTAHR
SCHEMBL9983681 0.81 SMN1; SMN2 (0.51) PIN1LMNATSHRSMN1; SMN2CYP2C9
SCHEMBL30390090 0.81 ALDH1A1 (0.46) LMNATSHRMAPK1MAPTAHR
SCHEMBL20697399 0.79 TYK2 (0.40) PIN1LMNACHUKMAPK1MAPT
SCHEMBL20697372 0.79 TYK2 (0.40) PIN1LMNACHUKMAPK1MAPT
SCHEMBL14060514 0.79 PIN1 (0.38) PIN1MAPK1MAPTHTTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210052556-A1 SUBSTITUTED THIAZOLO-PYRIDINE COMPOUNDS AS MALT1 INHIBITORS LUPIN LTD (IN) 2021-02-25 US disclosed
EP-3736277-A1 SUBSTITUTED THIAZOLO-PYRIDINE COMPOUNDS AS MALT1 INHIBITORS Lupin Limited (IN) 2020-11-11 EP disclosed
US-20190275012-A9 SUBSTITUTED THIAZOLO-PYRIDINE COMPOUNDS AS MALT1 INHIBITORS LUPIN LIMITED (IN) 2019-09-12 US disclosed
US-20190275012-A9 SUBSTITUTED THIAZOLO-PYRIDINE COMPOUNDS AS MALT1 INHIBITORS LUPIN LIMITED (IN) 2019-09-12 US disclosed
EP-3490995-A1 SUBSTITUTED THIAZOLO-PYRIDINE COMPOUNDS AS MALT1 INHIBITORS Lupin Limited (IN) 2019-06-05 EP disclosed
US-20190160045-A1 SUBSTITUTED THIAZOLO-PYRIDINE COMPOUNDS AS MALT1 INHIBITORS LUPIN LTD (IN) 2019-05-30 US disclosed
US-20190160045-A1 SUBSTITUTED THIAZOLO-PYRIDINE COMPOUNDS AS MALT1 INHIBITORS LUPIN LTD (IN) 2019-05-30 US disclosed
WO-2018020474-A1 SUBSTITUTED THIAZOLO-PYRIDINE COMPOUNDS AS MALT1 INHIBITORS LUPIN LIMITED (IN) 2018-02-01 WO disclosed
US-20170095458-A1 HETEROARYL SULFONAMIDES AND CCR2/CCR9 CHEMOCENTRYX, INC. (US) 2017-04-06 US disclosed
US-9133200-B2 Imidazo[1,2-b]pyridazine and imidazo[4,5-b]pyridine derivatives as JAK inhibitors ALMIRALL, S.A. (ES) 2015-09-15 US disclosed
US-8519135-B2 Heteroaryl sulfonamides and CCR2/CCR9 CHEMOCENTRYX, INC. (US) 2013-08-27 US disclosed
WO-2013017461-A1 PYRIDIN-2(1H)-ONE DERIVATIVES AS JAK INHIBITORS ALMIRALL, S.A. (ES) 2013-02-07 WO disclosed
EP-2554544-A1 Pyridin-2(1h)-one derivatives as jak inhibitors Almirall, S.A. (ES) 2013-02-06 EP disclosed
WO-2012160030-A1 PYRIDIN-2 (1H) -ONE DERIVATIVES USEFUL AS MEDICAMENTS FOR THE TREATMENT OF MYELOPROLIFERATIVE DISORDERS, TRANSPLANT REJECTION, IMMUNE-MEDIATED AND INFLAMMATORY DISEASES ALMIRALL, S.A. (ES) 2012-11-29 WO disclosed
WO-2012069202-A1 IMIDAZO [1,2-B] PYRIDAZINE AND IMIDAZO [4,5-B] PYRIDINE DERIVATIVES AS JAK INHIBITORS ALMIRALL,S.A. (ES) 2012-05-31 WO disclosed
US-8093247-B2 Heteroaryl sulfonamides and CCR2 CHEMOCENTRYX, INC. (US) 2012-01-10 US disclosed
US-20110118248-A1 Heteroaryl sulfonamides and CCR2/CCR9 CHEMOCENTRYX, INC. 2011-05-19 US disclosed
US-20100056509-A1 HETEROARYL SULFONAMIDES AND CCR2 CHEMOCENTRYX, INC. 2010-03-04 US disclosed
US-7622583-B2 Heteroaryl sulfonamides and CCR2 CHEMOCENTRYX, INC. (US) 2009-11-24 US disclosed
US-20070037794-A1 4-((5-Chloro-3-(4-methyl-3-trifluoromethylbenzenesulfonylamino)pyridin-2-yl)-oxo-)1H-pyrrolo(2,3-)pyridine;interfere with ligand (monocyte chemoatactic protein-1) for chemokine receptors (CCR2); antiinflammatory agents; immunomodulators; bactericides; viricides; fungicides CHEMOCENTRYX, INC. 2007-02-15 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 (7 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-20210052556-A1 SUBSTITUTED THIAZOLO-PYRIDINE COMPOUNDS AS MALT1 INHIBITORS MALT1, PTP4A1, PTPRO PIN1 512/4885LMNA 4835/4885CHUK 527/4885
US-20070037794-A1 4-((5-Chloro-3-(4-methyl-3-trifluoromethylbenzenesulfonylamino)pyridin-2-yl)-oxo-)1H-pyrrolo(2,3-)pyridine;interfere with ligand (monocyte chemoatactic protein-1) for chemokine receptors (CCR2); antiinflammatory agents; immunomodulators; bactericides; viricides; fungicides CCR2, CCR1, CCL2 PIN1 1247/4885LMNA 4844/4885CHUK 576/4885
US-20100056509-A1 HETEROARYL SULFONAMIDES AND CCR2 CCR2, CXCR2, CCR1 PIN1 1021/4885LMNA 4631/4885CHUK 193/4885
US-20190275012-A9 SUBSTITUTED THIAZOLO-PYRIDINE COMPOUNDS AS MALT1 INHIBITORS MALT1, PTP4A1, PTPRO PIN1 512/4885LMNA 4835/4885CHUK 527/4885
US-20170095458-A1 HETEROARYL SULFONAMIDES AND CCR2/CCR9 CCR2, CCR9, CCR1 PIN1 850/4885LMNA 4645/4885CHUK 292/4885
US-20110118248-A1 Heteroaryl sulfonamides and CCR2/CCR9 CCR2, CCR9, CCR1 PIN1 850/4885LMNA 4645/4885CHUK 292/4885
US-20190160045-A1 SUBSTITUTED THIAZOLO-PYRIDINE COMPOUNDS AS MALT1 INHIBITORS MALT1, PTP4A1, PTPRO PIN1 512/4885LMNA 4835/4885CHUK 527/4885

“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.