SCHEMBL4724487

SCHEMBL4724487

COc1ccccc1NC(=O)Nc1ncc(-c2cc(C(=O)O)c3cn[nH]c3n2)s1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.45
RAB9A P51151 4/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
MEN1 O00255 6/20 0.44
KMT2A Q03164 6/20 0.44
GRIK1 P39086 1/20 0.44
MAPT P10636 2/20 0.43
ADORA3 P0DMS8 2/20 0.42
ADORA2A P29274 1/20 0.42
MAPK1 P28482 1/20 0.42
CSNK2A2 P19784 1/20 0.42
CSNK2A1 P68400 1/20 0.42
SMYD2 Q9NRG4 1/20 0.41
ATR Q13535 1/20 0.41

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
SCHEMBL4824159 0.90 CSNK2A2 (0.44) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL4723548 0.86 ROCK1 (0.42) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL4764052 0.86 GRIK1 (0.43) RAB9ASMN1; SMN2MEN1KMT2AGRIK1
SCHEMBL4721735 0.85 FLT3 (0.51) NPC1RAB9AMEN1KMT2AGRIK1
SCHEMBL4724126 0.85 CNR1 (0.47) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL4908646 0.83 NTRK1 (0.41) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL4724837 0.82 MEN1 (0.47) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL1322467 0.82 ALDH1A1 (0.55) NPC1SMYD2
SCHEMBL4720639 0.80 IKBKB (0.40) MEN1KMT2AGRIK1
SCHEMBL4723103 0.79 CNR1 (0.55) RAB9ASMN1; SMN2MEN1KMT2AGRIK1

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 NPC1 3669/4885RAB9A 3036/4885SMN1; SMN2 4155/4885

“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.