SCHEMBL253096

SCHEMBL253096

c1ccc2c(c1)ncc1n[nH]cc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 3/20 0.50
KDM4E B2RXH2 2/20 0.50
MAPT P10636 1/20 0.41
TOP2A P11388 2/20 0.41
CYP3A4 P08684 1/20 0.38
PDPK1 O15530 2/20 0.37
CA12 O43570 1/20 0.37
PARP1 P09874 1/20 0.37
ALOX15 P16050 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CA9 Q16790 1/20 0.37
TNKS2 Q9H2K2 1/20 0.37
ERN1 O75460 1/20 0.37
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
NCF1 P14598 1/20 0.35
NOS1 P29475 1/20 0.35
PI4KA P42356 1/20 0.35
PI4K2B Q8TCG2 1/20 0.35
PI4K2A Q9BTU6 1/20 0.35

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
SCHEMBL30539895 1.00 GPR3 (0.50) GPR3KDM4EMAPTTOP2ACYP3A4
SCHEMBL2048246 0.79 PDPK1 (0.47) GPR3KDM4EMAPTTOP2ACYP3A4
SCHEMBL9837615 0.78 MAPT (0.67) KDM4EMAPTCYP3A4SMN1; SMN2ERN1
SCHEMBL729398 0.76 LMNA (0.45) KDM4EMAPTCYP3A4SMN1; SMN2
SCHEMBL729397 0.76 KDM4E (0.47) KDM4EMAPTCYP3A4ALOX15SMN1; SMN2
SCHEMBL1727666 0.73 KDM4E (0.52) GPR3KDM4ETOP2APDPK1CYP1A2
SCHEMBL30951595 0.73 KDM4E (0.52) GPR3KDM4ETOP2APDPK1CYP1A2
SCHEMBL30665271 0.73 KDM4E (0.47) GPR3KDM4EMAPTTOP2ACYP3A4
SCHEMBL19020845 0.73 GPR3 (0.68) GPR3KDM4EMAPTTOP2ACYP3A4
SCHEMBL8763443 0.71 ALDH1A1 (0.52) GPR3KDM4EMAPTCYP3A4SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090075980-A1 Pyrazolopyridines and Analogs Thereof COLEY PHARMACEUTICAL GROUP, INC. (US) 2009-03-19 US claimed
EP-1863809-A2 PYRAZOLOPYRIDINES AND ANALOGS THEREOF Coley Pharmaceutical Group, Inc. (US) 2007-12-12 EP claimed
WO-2006107753-A2 PYRAZOLOPYRIDINES AND ANALOGS THEREOF COLEY PHARMACEUTICAL GROUP, INC. (US) 2006-10-12 WO claimed
EP-4028017-B1 1,4-DIHYDROBENZO[D]PYRAZOLO[3,4-F][1,3]DIAZEPINE DERIVATIVES AND RELATED COMPOUNDS AS LRRK2, NUAK1 AND/OR TYK2 KINASE MODULATORS FOR THE TREATMENT OF E.G. AUTOIMMUNE DISEASES ORIGENIS GMBH (DE) 2023-12-06 EP disclosed
EP-3302060-B1 PYRAZOLO[4,3-C]QUINOLINE DERIVATIVES FOR INHIBITION OF -GLUCURONIDASE UNIV KAOHSIUNG MEDICAL (TW) 2020-02-12 EP disclosed
US-20160197275-A1 EMITTER HAVING A CONDENSED RING SYSTEM MERCK PATENT GMBH (DE) 2016-07-07 US disclosed
US-20160197275-A1 EMITTER HAVING A CONDENSED RING SYSTEM MERCK PATENT GMBH (DE) 2016-07-07 US disclosed
EP-1696912-B1 PYRAZOLOPYRIDINES AND ANALOGS THEREOF 3M INNOVATIVE PROPERTIES CO (US) 2016-05-11 EP disclosed
US-9145410-B2 Pyrazolopyridines and analogs thereof 3M INNOVATIVE PROPERTIES COMPANY (US) 2015-09-29 US disclosed
EP-2588457-A1 PYRAZOLO-QUINOLINES Merck Patent GmbH (DE) 2013-05-08 EP disclosed
US-20120121651-A1 PYRAZOLOPYRIDINES AND ANALOGS THEREOF 3M INNOVATIVE PROPERTIES COMPANY 2012-05-17 US disclosed
WO-2006107853-A2 PYRAZOLOPYRIDINE-1,4-DIAMINES AND ANALOGS THEREOF COLEY PHARMACEUTICAL GROUP, INC. (US) 2006-10-12 WO disclosed
WO-2006107851-A1 1-SUBSTITUTED PYRAZOLO (3,4-C) RING COMPOUNDS AS MODULATORS OF CYTOKINE BIOSYNTHESIS FOR THE TREATMENT OF VIRAL INFECTIONS AND NEOPLASTIC DISEASES COLEY PHARMACEUTICAL GROUP, INC. (US) 2006-10-12 WO disclosed
WO-2006107851-A1 1-SUBSTITUTED PYRAZOLO (3,4-C) RING COMPOUNDS AS MODULATORS OF CYTOKINE BIOSYNTHESIS FOR THE TREATMENT OF VIRAL INFECTIONS AND NEOPLASTIC DISEASES COLEY PHARMACEUTICAL GROUP, INC. (US) 2006-10-12 WO disclosed
WO-2006107753-A2 PYRAZOLOPYRIDINES AND ANALOGS THEREOF COLEY PHARMACEUTICAL GROUP, INC. (US) 2006-10-12 WO disclosed
WO-2006107771-A2 PYRAZOLO[3,4-c]QUINOLINES, PYRAZOLO[3,4-c]NAPHTHYRIDINES, ANALOGS THEREOF, AND METHODS COLEY PHARMACEUTICAL GROUP, INC. (US) 2006-10-12 WO disclosed
WO-2006107771-A2 PYRAZOLO[3,4-c]QUINOLINES, PYRAZOLO[3,4-c]NAPHTHYRIDINES, ANALOGS THEREOF, AND METHODS COLEY PHARMACEUTICAL GROUP, INC. (US) 2006-10-12 WO disclosed
EP-1696912-A2 PYRAZOLOPYRIDINES AND ANALOGS THEREOF 3M Innovative Properties Company (US) 2006-09-06 EP disclosed
US-20060100229-A1 Pyrazolopyridines and analogs thereof 3M INNOVATIVE PROPERTIES COMPANY 2006-05-11 US disclosed
WO-2005079195-A2 PYRAZOLOPYRIDINES AND ANALOGS THEREOF 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-09-01 WO 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 (3 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-20090075980-A1 Pyrazolopyridines and Analogs Thereof IL4, IL4I1, IL2 GPR3 1703/4885KDM4E 1465/4885MAPT 2501/4885
US-20060100229-A1 Pyrazolopyridines and analogs thereof IL4, IL2, IL4I1 GPR3 1884/4885KDM4E 1735/4885MAPT 2197/4885
US-20120121651-A1 PYRAZOLOPYRIDINES AND ANALOGS THEREOF IL4, IL4I1, IL2 GPR3 1703/4885KDM4E 1465/4885MAPT 2501/4885

“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.