SCHEMBL4723548

SCHEMBL4723548

O=C(Nc1ncc(-c2cc(C(=O)O)c3cn[nH]c3n2)s1)Nc1ccccc1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 1/20 0.42
NPC1 O15118 6/20 0.42
RAB9A P51151 6/20 0.42
MEN1 O00255 5/20 0.42
KMT2A Q03164 5/20 0.42
GAA P10253 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
KDM4E B2RXH2 2/20 0.41
GRIK1 P39086 1/20 0.41
MAPT P10636 5/20 0.41
STIM1 Q13586 1/20 0.41
ORAI1 Q96D31 1/20 0.41
CCNE1 P24864 1/20 0.40
CDK2 P24941 1/20 0.40
CDK5 Q00535 1/20 0.40
MAPK1 P28482 1/20 0.39
RECQL P46063 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NR1I2 O75469 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
SCHEMBL4908646 0.91 NTRK1 (0.41) ROCK1NPC1RAB9AMEN1KMT2A
SCHEMBL4724837 0.90 MEN1 (0.47) ROCK1NPC1RAB9AMEN1KMT2A
SCHEMBL4764052 0.89 GRIK1 (0.43) ROCK1RAB9AMEN1KMT2AGAA
SCHEMBL4724126 0.88 CNR1 (0.47) ROCK1NPC1RAB9AMEN1KMT2A
SCHEMBL4721935 0.87 RIPK1 (0.40) GRIK1
SCHEMBL4724487 0.86 NPC1 (0.45) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL4720639 0.86 IKBKB (0.40) MEN1KMT2AKDM4EGRIK1CCNE1
SCHEMBL4725018 0.83 KDR (0.44) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL4720666 0.81 BLM (0.44) MAPTCCNE1CDK2
SCHEMBL4723103 0.81 CNR1 (0.55) ROCK1RAB9AMEN1KMT2ASMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1912988-B1 7-SUBSTITUTED AZA-INDAZOLES, COMPOSITIONS CONTAINING SAME, PRODUCTION METHOD AND USE THEREOF AVENTIS PHARMA SA (FR) 2014-04-16 EP claimed
US-20080182844-A1 7-Substituted Aza-Indazoles, Compositions Containing Same, Production Method and Use Thereof AVENTIS PHARMA S.A. (FR) 2008-07-31 US claimed
EP-1912988-A1 7-SUBSTITUTED AZA-INDAZOLES, COMPOSITIONS CONTAINING SAME, PRODUCTION METHOD AND USE THEREOF Aventis Pharma S.A. (FR) 2008-04-23 EP claimed
WO-2007017577-A1 7-SUBSTITUTED AZA-INDAZOLES, COMPOSITIONS CONTAINING SAME, PRODUCTION METHOD AND USE THEREOF AVENTIS PHARMA S.A. (FR) 2007-02-15 WO claimed

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

For each of this compound's patents that has machine-readable text (1 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-20080182844-A1 7-Substituted Aza-Indazoles, Compositions Containing Same, Production Method and Use Thereof PRMT7, PRKACA, PRKX ROCK1 889/4885NPC1 3669/4885RAB9A 3036/4885

“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.