SCHEMBL439403

SCHEMBL439403

Cc1cccc(CC(=O)Nc2nc(-c3ccnc(Cl)c3)cs2)c1

nearest known ligand 0.77

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 12/20 0.77
CYP3A4 P08684 8/20 0.77
PRKACA P17612 5/20 0.60
WNT3A P56704 3/20 0.56
ROCK2 O75116 1/20 0.56
ELOVL1 Q9BW60 1/20 0.56
HTT P42858 1/20 0.55

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
SCHEMBL437424 0.90 ROCK1 (0.78) ROCK1CYP3A4PRKACAWNT3A
SCHEMBL439252 0.89 ROCK1 (0.75) ROCK1CYP3A4PRKACAROCK2ELOVL1
SCHEMBL436431 0.88 ROCK1 (0.74) ROCK1CYP3A4PRKACAWNT3AELOVL1
SCHEMBL439408 0.88 ROCK1 (0.77) ROCK1CYP3A4PRKACAWNT3AELOVL1
SCHEMBL439413 0.88 ROCK1 (0.77) ROCK1CYP3A4PRKACAWNT3AROCK2
SCHEMBL439202 0.87 CYP3A4 (1.00) ROCK1CYP3A4PRKACAWNT3AHTT
SCHEMBL438825 0.87 CYP3A4 (0.84) ROCK1CYP3A4PRKACAWNT3AHTT
SCHEMBL437420 0.87 ROCK1 (0.78) ROCK1CYP3A4PRKACAWNT3AROCK2
SCHEMBL439699 0.86 CYP3A4 (0.78) ROCK1CYP3A4PRKACAWNT3AROCK2
SCHEMBL439696 0.85 CYP3A4 (0.72) ROCK1CYP3A4PRKACAWNT3AROCK2

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-8278306-B2 C-met protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-10-02 US disclosed
US-20120065213-A1 C-MET PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-03-15 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-20120065213-A1 C-MET PROTEIN KINASE INHIBITORS MET, PRKCH, MYLK ROCK1 4/4885CYP3A4 3859/4885PRKACA 61/4885

“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.