SCHEMBL6796167

SCHEMBL6796167

COc1ccc(C2(c3ccccc3)C=Cc3c(-c4ccncc4)n[nH]c3C2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 2/20 0.40
MAPK12 P53778 2/20 0.40
MAPK11 Q15759 2/20 0.40
MAPK14 Q16539 2/20 0.40
RAF1 P04049 1/20 0.40
ALPL P05186 1/20 0.39
CCNE2 O96020 2/20 0.36
CDK4 P11802 2/20 0.36
CCND1 P24385 2/20 0.36
CCNE1 P24864 2/20 0.36
CDK2 P24941 2/20 0.36
OPRM1 P35372 1/20 0.34
OPRL1 P41146 1/20 0.34
TGFBR1 P36897 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
KDM4E B2RXH2 2/20 0.33
PTGS2 P35354 1/20 0.33
ALOX5 P09917 1/20 0.33
GCGR P47871 1/20 0.33

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
SCHEMBL6800708 0.96 ALPL (0.42) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL6802339 0.93 ALPL (0.42) ALPLCCNE2CDK4CCND1CCNE1
SCHEMBL6801460 0.92 ALPL (0.43) ALPLCCNE2CDK4CCND1CCNE1
SCHEMBL6800604 0.91 GAA (0.39) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL5876480 0.90 MKNK1 (0.39) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL6800112 0.89 MKNK1 (0.38) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL6795048 0.89 ALPL (0.41) ALPLKDM4ENPC1CYP17A1ALDH1A1
SCHEMBL6795537 0.88 PDE4A (0.35) KMT2AKDM4EMKNK1ALDH1A1L3MBTL1
SCHEMBL6801110 0.87 GAA (0.41) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL5877792 0.87 ALPL (0.35) ALPLCCNE2CDK4CCND1CCNE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040162276-A1 Indazole or indole derivatives, and use thereof in human medicine and more particularly in oncology AVENTIS PHARMA S.A. (FR) 2004-08-19 US 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 (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-20040162276-A1 Indazole or indole derivatives, and use thereof in human medicine and more particularly in oncology IDO1, IDO2, INMT MAPK13 2692/4885MAPK12 3251/4885MAPK11 1860/4885

“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.