SCHEMBL437320

SCHEMBL437320

CCOc1cc(-c2csc(NC(=O)Cc3ccccc3Cl)n2)ccn1

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ELOVL1 Q9BW60 2/20 0.58
RAB9A P51151 2/20 0.58
NPC1 O15118 1/20 0.58
CYP3A4 P08684 2/20 0.56
CSNK1D P48730 1/20 0.53
ROCK1 Q13464 4/20 0.53
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
ROCK2 O75116 1/20 0.52
WNT3A P56704 1/20 0.52
PRKACA P17612 1/20 0.52
CLK1 P49759 1/20 0.52
TRPA1 O75762 2/20 0.50

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
SCHEMBL436416 0.86 WNT3A (0.69) ELOVL1RAB9ANPC1CYP3A4ROCK1
SCHEMBL438712 0.86 ELOVL1 (0.64) ELOVL1RAB9ANPC1CYP3A4ROCK1
SCHEMBL438724 0.85 ELOVL1 (0.58) ELOVL1RAB9ANPC1CYP3A4ROCK1
SCHEMBL436506 0.84 ROCK1 (0.53) ELOVL1RAB9ANPC1CYP3A4ROCK1
SCHEMBL436414 0.84 ROCK1 (0.64) ELOVL1RAB9ANPC1CYP3A4ROCK1
SCHEMBL439244 0.84 ELOVL1 (0.62) ELOVL1RAB9ANPC1CYP3A4ROCK1
SCHEMBL439503 0.83 CYP3A4 (0.64) ELOVL1RAB9ANPC1CYP3A4ROCK1
SCHEMBL439696 0.81 CYP3A4 (0.72) CYP3A4ROCK1MEN1KMT2AROCK2
SCHEMBL436405 0.80 WNT3A (0.68) RAB9ANPC1CYP3A4ROCK1MEN1
SCHEMBL438705 0.79 CYP3A4 (0.88) RAB9ACYP3A4ROCK1MEN1KMT2A

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 2798/4885RAB9A 696/4885NPC1 2801/4885
US-20120065213-A1 C-MET PROTEIN KINASE INHIBITORS MET, PRKCH, MYLK ELOVL1 3141/4885RAB9A 1217/4885NPC1 2213/4885

“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.