SCHEMBL728920

SCHEMBL728920

Oc1[nH]nc2cnc3ccccc3c12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.45
KDM4E B2RXH2 2/20 0.41
GPR3 P46089 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
NOS1 P29475 1/20 0.40
PDPK1 O15530 2/20 0.40
CDK4 P11802 2/20 0.38
CCND1 P24385 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
CA12 O43570 1/20 0.38
PARP1 P09874 1/20 0.38
ALOX15 P16050 1/20 0.38
CA9 Q16790 1/20 0.38
TNKS2 Q9H2K2 1/20 0.38
TOP2A P11388 2/20 0.35
CHEK1 O14757 1/20 0.35
CHEK2 O96017 1/20 0.35
CDK1 P06493 1/20 0.35
GSK3B P49841 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
SCHEMBL1897984 0.79 KMT2A (0.43) KDM4EGPR3CYP1A2CYP2C19NOS1
SCHEMBL16178927 0.74 CYP1A2 (0.56) KDM4EGPR3CYP1A2CYP2C19NOS1
Hydrochloric Acid SCHEMBL30262984 0.72 CYP1A2 (0.54) KDM4EGPR3CYP1A2CYP2C19NOS1
SCHEMBL1233757 0.72 KDM4E (0.36) KDM4EGPR3CYP1A2CYP2C19NOS1
SCHEMBL1233760 0.72 LOXL2 (0.37) KDM4EGPR3CYP1A2CYP2C19NOS1
SCHEMBL1233271 0.72 PDE1A (0.43) KDM4EGPR3CYP1A2CYP2C19NOS1
SCHEMBL1233826 0.69 KDM4E (0.33) ERN1KDM4EGPR3CYP1A2CYP2C19
SCHEMBL1233822 0.69 KDM4E (0.33) ERN1KDM4EGPR3CYP1A2CYP2C19
SCHEMBL16535871 0.66 GPR3 (0.52) ERN1KDM4EGPR3CYP1A2PDPK1
SCHEMBL30381519 0.66 ALOX5 (0.48) ERN1KDM4EGPR3PDPK1CDK4

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8138173-B2 Pyrazolo[3,4-C]quinolines, pyrazolo[3,4-C]naphthyridines, analogs thereof, and methods 3M INNOVATIVE PROPERTIES COMPANY (US) 2012-03-20 US disclosed
US-7943610-B2 Pyrazolopyridine-1,4-diamines and analogs thereof 3M INNOVATIVE PROPERTIES COMPANY (US) 2011-05-17 US disclosed
US-20090124611-A1 Pyrazolopyridine-1,4-Diamines and Analogs Thereof COLEY PHARMACEUTICAL GROUP, INC. (US) 2009-05-14 US disclosed
US-20090069299-A1 Pyrazolo[3,4-c]Quinolines, Pyrazolo[3,4-c]Naphthyridines, Analogs Thereof, and Methods COLEY PHARMACEUTICAL GROUP, INC. (US) 2009-03-12 US disclosed
EP-1869043-A2 PYRAZOLOPYRIDINE-1,4-DIAMINES AND ANALOGS THEREOF Coley Pharmaceutical Group, Inc. (US) 2007-12-26 EP disclosed
EP-1863813-A2 PYRAZOLO[3,4-C]QUINOLINES, PYRAZOLO[3,4-C]NAPHTHYRIDINES, ANALOGS THEREOF, AND METHODS Coley Pharmaceutical Group, Inc. (US) 2007-12-12 EP disclosed
WO-2006107853-A2 PYRAZOLOPYRIDINE-1,4-DIAMINES 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

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

For each of this compound's patents that has machine-readable text (2 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-20090069299-A1 Pyrazolo[3,4-c]Quinolines, Pyrazolo[3,4-c]Naphthyridines, Analogs Thereof, and Methods IL4, IL2, IL5 ERN1 3411/4885KDM4E 3301/4885GPR3 1464/4885
US-20090124611-A1 Pyrazolopyridine-1,4-Diamines and Analogs Thereof IL4, IL2, IL1A ERN1 1382/4885KDM4E 1184/4885GPR3 2172/4885

“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.