SCHEMBL437400

SCHEMBL437400

O=C(Cc1cc2c(cc1Cl)OCO2)Nc1nc(-c2ccnc(NCc3ccccc3)c2)cs1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 6/20 0.53
PRKACA P17612 2/20 0.51
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
ELOVL1 Q9BW60 2/20 0.49
HTT P42858 1/20 0.49
CYP3A4 P08684 3/20 0.49
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47
MAPK1 P28482 1/20 0.47
WNT3A P56704 4/20 0.47
RORC P51449 1/20 0.47
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45

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
SCHEMBL436508 0.89 ROCK1 (0.53) ROCK1PRKACAMEN1KMT2AELOVL1
SCHEMBL13213570 0.88 ELOVL1 (0.52) ROCK1PRKACAMEN1KMT2AELOVL1
SCHEMBL437330 0.87 ROCK1 (0.57) ROCK1PRKACAMEN1KMT2AELOVL1
SCHEMBL436513 0.85 ROCK1 (0.58) ROCK1PRKACAMEN1KMT2AELOVL1
SCHEMBL438723 0.83 ROCK1 (0.56) ROCK1PRKACAMEN1KMT2AELOVL1
SCHEMBL439246 0.83 WNT3A (0.58) ROCK1PRKACAMEN1KMT2AELOVL1
SCHEMBL438722 0.81 CYP3A4 (0.57) ROCK1PRKACAMEN1KMT2AELOVL1
SCHEMBL436506 0.80 ROCK1 (0.53) ROCK1PRKACAMEN1KMT2AELOVL1
SCHEMBL439513 0.79 ELOVL1 (0.62) ROCK1PRKACAMEN1KMT2AELOVL1
SCHEMBL437415 0.79 ROCK1 (0.62) ROCK1PRKACAMEN1KMT2AELOVL1

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 1/4885PRKACA 99/4885MEN1 1248/4885
US-20120065213-A1 C-MET PROTEIN KINASE INHIBITORS MET, PRKCH, MYLK ROCK1 4/4885PRKACA 61/4885MEN1 275/4885

“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.