SCHEMBL436431

SCHEMBL436431

O=C(Cc1ccccc1)Nc1nc(-c2ccnc(Cl)c2)cs1

nearest known ligand 0.74

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 5/20 0.74
CYP3A4 P08684 3/20 0.74
ELOVL1 Q9BW60 1/20 0.72
PRKACA P17612 1/20 0.71
WNT3A P56704 3/20 0.64
MEN1 O00255 3/20 0.64
KMT2A Q03164 3/20 0.64
RORC P51449 1/20 0.63
LMNA P02545 1/20 0.60
TP53 P04637 1/20 0.60
APP P05067 1/20 0.58

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
SCHEMBL439252 0.89 ROCK1 (0.75) ROCK1CYP3A4ELOVL1PRKACAMEN1
SCHEMBL436404 0.89 KMT2A (0.73) ROCK1CYP3A4ELOVL1PRKACAWNT3A
SCHEMBL439403 0.88 ROCK1 (0.77) ROCK1CYP3A4ELOVL1PRKACAWNT3A
SCHEMBL438712 0.87 ELOVL1 (0.64) ROCK1CYP3A4ELOVL1PRKACAWNT3A
SCHEMBL436419 0.86 ROCK1 (0.74) ROCK1CYP3A4ELOVL1PRKACAWNT3A
SCHEMBL437267 0.86 WNT3A (0.84) ROCK1CYP3A4ELOVL1PRKACAWNT3A
SCHEMBL439202 0.86 CYP3A4 (1.00) ROCK1CYP3A4PRKACAWNT3AMEN1
SCHEMBL437334 0.85 ELOVL1 (0.81) ROCK1CYP3A4ELOVL1PRKACAWNT3A
SCHEMBL19380614 0.84 ELOVL1 (1.00) ROCK1ELOVL1PRKACAWNT3AMEN1
SCHEMBL436432 0.83 ROCK1 (0.78) ROCK1CYP3A4PRKACA

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 ROCK1 1/4885CYP3A4 4395/4885ELOVL1 2798/4885
US-20120065213-A1 C-MET PROTEIN KINASE INHIBITORS MET, PRKCH, MYLK ROCK1 4/4885CYP3A4 3859/4885ELOVL1 3141/4885

“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.