SCHEMBL4872168

SCHEMBL4872168

O=C(Nc1cccc(-c2cc(C(=O)O)c3cn[nH]c3n2)c1)Nc1cc(C(F)(F)F)ccc1F

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 8/20 0.57
GRIK1 P39086 5/20 0.51
IGF1R P08069 2/20 0.49
CDK1 P06493 1/20 0.49
CDK2 P24941 1/20 0.49
KDR P35968 2/20 0.47
EPHB4 P54760 1/20 0.47
TEK Q02763 1/20 0.47
BRAF P15056 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
KIT P10721 1/20 0.46
FLT3 P36888 1/20 0.46

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
SCHEMBL1323476 0.91 RIPK1 (0.54) RIPK1IGF1RCDK1CDK2KDR
SCHEMBL4722549 0.90 FLT3 (0.52) RIPK1GRIK1KDREPHB4TEK
SCHEMBL4723867 0.85 TEK (0.46) RIPK1KDREPHB4TEKBRAF
SCHEMBL16456547 0.84 RIPK1 (0.54) RIPK1IGF1RCDK1CDK2KDR
SCHEMBL1323850 0.82 KDR (0.53) RIPK1CDK1CDK2KDRTEK
SCHEMBL1321944 0.82 EPHX2 (0.56) RIPK1KDRBRAF
SCHEMBL4764222 0.82 PDGFRB (0.39) RIPK1GRIK1KDRTEKBRAF
SCHEMBL4912208 0.81 NPC1 (0.39) RIPK1GRIK1KDRTEKMEN1
SCHEMBL4766324 0.81 KDR (0.40) RIPK1GRIK1KDRTEKBRAF
SCHEMBL1322572 0.81 FLT3 (0.52) RIPK1KDRTEKKITFLT3

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 RIPK1 1043/4885GRIK1 1704/4885IGF1R 1050/4885

“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.