SCHEMBL439408

SCHEMBL439408

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

nearest known ligand 0.77

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 9/20 0.77
CYP3A4 P08684 8/20 0.77
ELOVL1 Q9BW60 1/20 0.67
PRKACA P17612 4/20 0.63
WNT3A P56704 4/20 0.61
MEN1 O00255 3/20 0.61
KMT2A Q03164 3/20 0.61

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
SCHEMBL439413 0.88 ROCK1 (0.77) ROCK1CYP3A4ELOVL1PRKACAWNT3A
SCHEMBL439403 0.88 ROCK1 (0.77) ROCK1CYP3A4ELOVL1PRKACAWNT3A
SCHEMBL436411 0.87 CYP3A4 (1.00) ROCK1CYP3A4ELOVL1PRKACAMEN1
SCHEMBL438825 0.87 CYP3A4 (0.84) ROCK1CYP3A4PRKACAWNT3AMEN1
SCHEMBL437420 0.87 ROCK1 (0.78) ROCK1CYP3A4ELOVL1PRKACAWNT3A
SCHEMBL439699 0.86 CYP3A4 (0.78) ROCK1CYP3A4ELOVL1PRKACAWNT3A
SCHEMBL439696 0.85 CYP3A4 (0.72) ROCK1CYP3A4PRKACAWNT3AMEN1
SCHEMBL437274 0.85 ROCK1 (0.78) ROCK1CYP3A4ELOVL1PRKACAMEN1
SCHEMBL439533 0.84 KMT2A (0.78) ROCK1CYP3A4ELOVL1PRKACAWNT3A

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 3859/4885ELOVL1 3141/4885

“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.