SCHEMBL4495473

SCHEMBL4495473

CN(C)Cc1ccc(NC(=C2C(=O)Nc3cc(F)ccc32)c2cccc(CNS(=O)(=O)c3ccccc3)c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.41
NAMPT P43490 3/20 0.40
ROCK2 O75116 3/20 0.38
CYP19A1 P11511 1/20 0.38
CXCR4 P61073 1/20 0.37
LIMK2 P53671 2/20 0.37
GPR55 Q9Y2T6 1/20 0.37
MEN1 O00255 1/20 0.37
GPR17 Q13304 1/20 0.37

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
SCHEMBL4495466 1.00 KMT2A (0.41) KMT2ANAMPTROCK2CYP19A1CXCR4
SCHEMBL4497985 0.91 ROCK2 (0.40) NAMPTROCK2
SCHEMBL4497979 0.91 ROCK2 (0.40) NAMPTROCK2
SCHEMBL4477014 0.90 ROCK2 (0.40) NAMPTROCK2
SCHEMBL4477010 0.90 ROCK2 (0.40) NAMPTROCK2
SCHEMBL226962 0.87 ROCK2 (0.48) NAMPTROCK2
SCHEMBL226963 0.87 ROCK2 (0.48) NAMPTROCK2
SCHEMBL4504092 0.86 BACE1 (0.43) NAMPTROCK2
SCHEMBL4504089 0.86 BACE1 (0.43) NAMPTROCK2
SCHEMBL4500818 0.86 OPRK1 (0.39) KMT2ANAMPTROCK2LIMK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7514468-B2 Indolinone derivatives substituted in the 6 position, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2009-04-07 US disclosed
US-20060194813-A1 Indolinone derivatives substituted in the 6 position, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2006-08-31 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-20060194813-A1 Indolinone derivatives substituted in the 6 position, the preparation thereof and their use as pharmaceutical compositions KDR, FLT1, EGFR KMT2A 3530/4885NAMPT 3483/4885ROCK2 392/4885

“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.