SCHEMBL437267

SCHEMBL437267

Cc1cc(-c2csc(NC(=O)Cc3ccccc3)n2)ccn1

nearest known ligand 0.84

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
WNT3A P56704 8/20 0.84
ROCK1 Q13464 3/20 0.76
CYP3A4 P08684 2/20 0.76
ELOVL1 Q9BW60 1/20 0.72
PRKACA P17612 1/20 0.71
MEN1 O00255 2/20 0.67
KMT2A Q03164 2/20 0.67
APP P05067 1/20 0.61

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
SCHEMBL1727129 0.91 WNT3A (1.00) WNT3AELOVL1APP
SCHEMBL437424 0.90 ROCK1 (0.78) WNT3AROCK1CYP3A4PRKACA
SCHEMBL439521 0.89 ROCK1 (0.77) WNT3AROCK1CYP3A4PRKACA
SCHEMBL438726 0.89 WNT3A (0.90) WNT3AROCK1CYP3A4PRKACAMEN1
SCHEMBL1726091 0.89 WNT3A (1.00) WNT3AROCK1CYP3A4ELOVL1
SCHEMBL439520 0.87 CYP3A4 (1.00) WNT3AROCK1CYP3A4PRKACAMEN1
SCHEMBL436431 0.86 ROCK1 (0.74) WNT3AROCK1CYP3A4ELOVL1PRKACA
SCHEMBL436419 0.86 ROCK1 (0.74) WNT3AROCK1CYP3A4ELOVL1PRKACA
SCHEMBL12303088 0.86 WNT3A (0.86) WNT3AROCK1CYP3A4ELOVL1PRKACA
SCHEMBL1724747 0.86 WNT3A (1.00) WNT3AROCK1CYP3A4ELOVL1PRKACA

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 8 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
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 2269/4885ROCK1 1/4885CYP3A4 4395/4885
US-20120065213-A1 C-MET PROTEIN KINASE INHIBITORS MET, PRKCH, MYLK WNT3A 2622/4885ROCK1 4/4885CYP3A4 3859/4885

“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.