SCHEMBL438825

SCHEMBL438825

COc1cc(-c2csc(NC(=O)Cc3cccc(C)c3)n2)ccn1

nearest known ligand 0.84

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 9/20 0.84
ROCK1 Q13464 10/20 0.71
PRKACA P17612 4/20 0.67
HTT P42858 1/20 0.61
MEN1 O00255 3/20 0.60
KMT2A Q03164 3/20 0.60
WNT3A P56704 1/20 0.58
ALDH1A1 P00352 1/20 0.56
RAB9A P51151 1/20 0.56

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
SCHEMBL439696 0.92 CYP3A4 (0.72) CYP3A4ROCK1PRKACAHTTMEN1
SCHEMBL438700 0.91 CYP3A4 (1.00) CYP3A4ROCK1PRKACAHTTMEN1
SCHEMBL437424 0.89 ROCK1 (0.78) CYP3A4ROCK1PRKACAWNT3A
SCHEMBL439413 0.87 ROCK1 (0.77) CYP3A4ROCK1PRKACAHTTWNT3A
SCHEMBL439403 0.87 ROCK1 (0.77) CYP3A4ROCK1PRKACAHTTWNT3A
SCHEMBL439408 0.87 ROCK1 (0.77) CYP3A4ROCK1PRKACAMEN1KMT2A
SCHEMBL437420 0.86 ROCK1 (0.78) CYP3A4ROCK1PRKACAHTTWNT3A
SCHEMBL439699 0.85 CYP3A4 (0.78) CYP3A4ROCK1PRKACAHTTWNT3A
SCHEMBL437318 0.85 CYP3A4 (0.72) CYP3A4ROCK1PRKACAMEN1KMT2A
SCHEMBL438705 0.85 CYP3A4 (0.88) CYP3A4ROCK1PRKACAHTTMEN1

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 CYP3A4 3859/4885ROCK1 4/4885PRKACA 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.