SCHEMBL3880957

SCHEMBL3880957

COc1ccc(C(F)(F)F)cc1NC(=O)Nc1ccc(-c2c(C(N)=O)[nH]c3cccnc23)cc1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BRAF P15056 1/20 0.53
RAF1 P04049 9/20 0.49
P2RY1 P47900 4/20 0.44
DHODH Q02127 1/20 0.43
NAMPT P43490 1/20 0.42
HPSE Q9Y251 1/20 0.42
KDR P35968 2/20 0.42
PDGFRB P09619 1/20 0.42
FLT1 P17948 1/20 0.42
TEK Q02763 1/20 0.42

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
SCHEMBL3878426 0.88 KDR (0.54) BRAFKDRPDGFRBFLT1TEK
SCHEMBL3879910 0.88 MAPT (0.52) HPSEKDRPDGFRB
SCHEMBL3880359 0.88 MAPT (0.50) HPSE
SCHEMBL1881273 0.88 BRAF (0.56) BRAFRAF1P2RY1NAMPT
SCHEMBL3877565 0.87 RIPK1 (0.54) BRAFRAF1P2RY1KDRPDGFRB
SCHEMBL3878842 0.87 MTOR (0.47) HPSEKDRPDGFRB
SCHEMBL3877511 0.86 PDGFRB (0.53) BRAFRAF1KDRPDGFRB
SCHEMBL3878912 0.86 SMN1; SMN2 (0.54) HPSEKDRTEK
SCHEMBL3881293 0.86 HPSE (0.49) HPSE
SCHEMBL3885329 0.84 KDR (0.59) KDRPDGFRBFLT1TEK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070259910-A1 Substituted Indoles, Compositions Containing Them, Method for the Production Thereof and Their Use AVENTIS PHARMA S.A. (FR) 2007-11-08 US claimed
US-7566736-B2 Substituted indoles, compositions containing them, method for the production thereof and their use AVENTIS PHARMA S.A. (FR) 2009-07-28 US disclosed
US-7566736-B2 Substituted indoles, compositions containing them, method for the production thereof and their use AVENTIS PHARMA S.A. (FR) 2009-07-28 US disclosed
US-7566736-B2 Substituted indoles, compositions containing them, method for the production thereof and their use AVENTIS PHARMA S.A. (FR) 2009-07-28 US disclosed
US-20070259910-A1 Substituted Indoles, Compositions Containing Them, Method for the Production Thereof and Their Use AVENTIS PHARMA S.A. (FR) 2007-11-08 US disclosed
US-20070259910-A1 Substituted Indoles, Compositions Containing Them, Method for the Production Thereof and Their Use AVENTIS PHARMA S.A. (FR) 2007-11-08 US disclosed
US-20070259910-A1 Substituted Indoles, Compositions Containing Them, Method for the Production Thereof and Their Use AVENTIS PHARMA S.A. (FR) 2007-11-08 US disclosed
EP-1841762-A1 SUBSTITUTED INDOLES, COMPOSITIONS CONTAINING THEM, METHOD FOR THE PRODUCTION THEREOF AND THEIR USE Aventis Pharma S.A. (FR) 2007-10-10 EP disclosed
WO-2006061493-A1 SUBSTITUTED INDOLES, COMPOSITIONS CONTAINING THEM, METHOD FOR THE PRODUCTION THEREOF AND THEIR USE AVENTIS PHARMA S.A. (FR) 2006-06-15 WO 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-20070259910-A1 Substituted Indoles, Compositions Containing Them, Method for the Production Thereof and Their Use IDO1, RB1, IDO2 BRAF 821/4885RAF1 745/4885P2RY1 1202/4885

“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.