SCHEMBL437354

SCHEMBL437354

CS(=O)(=O)Nc1ccc(F)c(CC(=O)Nc2cc(-c3ccnc(N)c3)cs2)c1

nearest known ligand 0.71

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 10/20 0.71
PRKACA P17612 6/20 0.71
ROCK2 O75116 2/20 0.61
CYP2D6 P10635 1/20 0.61
CYP2C9 P11712 1/20 0.61
CYP2C19 P33261 1/20 0.61
CYP3A4 P08684 7/20 0.56
LCK P06239 1/20 0.40
AURKB Q96GD4 1/20 0.40
EIF2AK3 Q9NZJ5 1/20 0.40
RORC P51449 4/20 0.39
ADRA2C P18825 1/20 0.39
ADRA1A P35348 1/20 0.39
ADRA1B P35368 1/20 0.39
ANO1 Q5XXA6 2/20 0.38
CIT O14578 1/20 0.37
ELOVL1 Q9BW60 1/20 0.36

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
SCHEMBL437309 0.91 ROCK1 (0.74) ROCK1PRKACAROCK2CYP2D6CYP2C9
SCHEMBL436462 0.90 ROCK1 (0.62) ROCK1PRKACAROCK2CYP2D6CYP2C9
SCHEMBL439329 0.89 ROCK1 (0.71) ROCK1PRKACAROCK2CYP2D6CYP2C9
SCHEMBL439598 0.83 ROCK1 (1.00) ROCK1PRKACAROCK2CYP2D6CYP2C9
SCHEMBL5316101 0.80 ROCK1 (0.51) ROCK1PRKACAROCK2CYP2D6CYP2C9
SCHEMBL5924544 0.79 ROCK1 (0.56) ROCK1PRKACAROCK2CYP2D6CYP2C9
SCHEMBL5264834 0.78 ROCK1 (0.46) ROCK1PRKACAROCK2CYP2D6CYP2C9
SCHEMBL439574 0.76 ROCK1 (1.00) ROCK1PRKACAROCK2CYP2D6CYP2C9
SCHEMBL27745493 0.73 PRKACA (0.68) ROCK1PRKACAROCK2CYP3A4
SCHEMBL439602 0.73 ROCK1 (0.81) ROCK1PRKACAROCK2CYP2D6CYP2C9

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-8278306-B2 C-met protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-10-02 US disclosed
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
US-20120065213-A1 C-MET PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-03-15 US disclosed
US-8058271-B2 Selective inhibitors of rock protein kinase and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-11-15 US disclosed
US-8058271-B2 Selective inhibitors of rock protein kinase and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-11-15 US disclosed
EP-2032562-B1 SELECTIVE INHIBITORS OF ROCK PROTEIN KINASE AND USES THEREOF VERTEX PHARMA (US) 2010-08-25 EP disclosed
US-20070270386-A1 Selective inhibitors of rock protein kinase and uses thereof VERTEX PHARMACEUTICALS INCORPORATED 2007-11-22 US disclosed
US-20070270386-A1 Selective inhibitors of rock protein kinase and uses thereof VERTEX PHARMACEUTICALS INCORPORATED 2007-11-22 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 (2 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-20070270386-A1 Selective inhibitors of rock protein kinase and uses thereof ROCK1, ROCK2, MYLK ROCK1 1/4885PRKACA 99/4885ROCK2 2/4885
US-20120065213-A1 C-MET PROTEIN KINASE INHIBITORS MET, PRKCH, MYLK ROCK1 4/4885PRKACA 61/4885ROCK2 9/4885

“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.