SCHEMBL4724837

SCHEMBL4724837

O=C(Nc1ncc(-c2cc(C(=O)O)c3cn[nH]c3n2)s1)Nc1ccc(F)cc1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
MAPT P10636 2/20 0.47
MAPK1 P28482 1/20 0.47
RECQL P46063 1/20 0.47
NPC1 O15118 5/20 0.46
RAB9A P51151 4/20 0.46
POLB P06746 1/20 0.46
ROCK1 Q13464 1/20 0.45
AGTR1 P30556 1/20 0.43
APOBEC3G Q9HC16 1/20 0.43
PSMD14 O00487 1/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
PAK1 Q13153 2/20 0.42
CASP3 P42574 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
HTT P42858 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.38

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 0.94 NTRK1 (0.41) MEN1KMT2ASMN1; SMN2MAPTMAPK1
SCHEMBL4723548 0.90 ROCK1 (0.42) MEN1KMT2ASMN1; SMN2MAPTMAPK1
SCHEMBL4721935 0.84 RIPK1 (0.40)
SCHEMBL4724126 0.83 CNR1 (0.47) MEN1KMT2ASMN1; SMN2MAPTNPC1
SCHEMBL4764052 0.83 GRIK1 (0.43) MEN1KMT2ASMN1; SMN2MAPTRAB9A
SCHEMBL4725018 0.82 KDR (0.44) MEN1KMT2ASMN1; SMN2MAPTNPC1
SCHEMBL4724487 0.82 NPC1 (0.45) MEN1KMT2ASMN1; SMN2MAPTMAPK1
SCHEMBL4720639 0.82 IKBKB (0.40) MEN1KMT2AKDM4E
SCHEMBL1323995 0.81 SMYD2 (0.50) KMT2ASMN1; SMN2NPC1KDM4EALDH1A1
SCHEMBL4720666 0.81 BLM (0.44) MAPTLMNATP53

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 MEN1 2501/4885KMT2A 906/4885SMN1; 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.