SCHEMBL437331

SCHEMBL437331

Cc1cc(-c2csc(NC(=O)Cc3ccccc3F)c2)ccn1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ELOVL1 Q9BW60 2/20 0.53
PRKACA P17612 5/20 0.52
ROCK1 Q13464 5/20 0.52
CYP3A4 P08684 3/20 0.52
ROCK2 O75116 2/20 0.52
WNT3A P56704 7/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
RORA P35398 1/20 0.49
NR2E1 Q9Y466 1/20 0.49
ANO1 Q5XXA6 1/20 0.49
MAPK1 P28482 1/20 0.48
MEN1 O00255 2/20 0.47
RAB9A P51151 2/20 0.47
KMT2A Q03164 2/20 0.47
ALDH1A1 P00352 1/20 0.47
HTT P42858 1/20 0.47

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
SCHEMBL439608 0.84 WNT3A (0.64) PRKACAROCK1CYP3A4ROCK2WNT3A
SCHEMBL436462 0.82 ROCK1 (0.62) PRKACAROCK1CYP3A4ROCK2WNT3A
SCHEMBL436418 0.81 ELOVL1 (0.81) ELOVL1PRKACAROCK1CYP3A4WNT3A
SCHEMBL12123119 0.79 PSEN1 (0.71) PRKACAROCK1CYP3A4ROCK2WNT3A
SCHEMBL437336 0.78 ROCK1 (0.60) PRKACAROCK1CYP3A4ROCK2WNT3A
SCHEMBL437311 0.77 ROCK1 (0.58) ELOVL1PRKACAROCK1CYP3A4ROCK2
SCHEMBL436460 0.76 ROCK1 (0.80) PRKACAROCK1CYP3A4ROCK2WNT3A
SCHEMBL439293 0.75 ROCK1 (0.74) ELOVL1PRKACAROCK1CYP3A4ROCK2
SCHEMBL439309 0.74 ROCK1 (0.58) PRKACAROCK1CYP3A4ROCK2WNT3A
SCHEMBL27745493 0.74 PRKACA (0.68) PRKACAROCK1CYP3A4ROCK2MEN1

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 10 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
WO-2007133622-A2 SELECTIVE INHIBITORS OF ROCK PROTEIN KINASE AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-11-22 WO 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 ELOVL1 2798/4885PRKACA 99/4885ROCK1 1/4885
US-20120065213-A1 C-MET PROTEIN KINASE INHIBITORS MET, PRKCH, MYLK ELOVL1 3141/4885PRKACA 61/4885ROCK1 4/4885

“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.