SCHEMBL436416

SCHEMBL436416

Cc1cc(-c2csc(NC(=O)Cc3ccccc3Cl)n2)ccn1

nearest known ligand 0.72

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
WNT3A P56704 8/20 0.69
RAB9A P51151 2/20 0.69
NPC1 O15118 1/20 0.69
ROCK1 Q13464 4/20 0.62
CYP3A4 P08684 1/20 0.62
ELOVL1 Q9BW60 2/20 0.62
RORA P35398 1/20 0.57
NR2E1 Q9Y466 1/20 0.57
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
ROCK2 O75116 1/20 0.56
PRKACA P17612 1/20 0.55

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
SCHEMBL438712 0.89 ELOVL1 (0.64) WNT3ARAB9ANPC1ROCK1CYP3A4
SCHEMBL436414 0.88 ROCK1 (0.64) WNT3ARAB9ANPC1ROCK1CYP3A4
SCHEMBL436418 0.88 ELOVL1 (0.81) WNT3ARAB9ANPC1ROCK1CYP3A4
SCHEMBL439244 0.88 ELOVL1 (0.62) WNT3ARAB9ANPC1ROCK1CYP3A4
SCHEMBL439503 0.87 CYP3A4 (0.64) WNT3ARAB9ANPC1ROCK1CYP3A4
SCHEMBL13213624 0.87 WNT3A (0.62) WNT3ARAB9ANPC1ROCK1CYP3A4
SCHEMBL438724 0.86 ELOVL1 (0.58) WNT3ARAB9ANPC1ROCK1CYP3A4
SCHEMBL437320 0.86 ELOVL1 (0.58) WNT3ARAB9ANPC1ROCK1CYP3A4
SCHEMBL437267 0.85 WNT3A (0.84) WNT3AROCK1CYP3A4ELOVL1MEN1
SCHEMBL439246 0.83 WNT3A (0.58) WNT3ARAB9ANPC1ROCK1CYP3A4

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 WNT3A 2269/4885RAB9A 696/4885NPC1 2801/4885
US-20120065213-A1 C-MET PROTEIN KINASE INHIBITORS MET, PRKCH, MYLK WNT3A 2622/4885RAB9A 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.