SCHEMBL436506

SCHEMBL436506

CCOc1cc(-c2csc(NC(=O)Cc3cc4c(cc3Cl)OCO4)n2)ccn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 4/20 0.53
PRKACA P17612 1/20 0.53
CYP3A4 P08684 3/20 0.50
NPC1 O15118 8/20 0.49
RAB9A P51151 8/20 0.49
LMNA P02545 6/20 0.49
SMN1; SMN2 Q16637 6/20 0.49
MEN1 O00255 6/20 0.49
KMT2A Q03164 6/20 0.49
MAPT P10636 5/20 0.49
ALDH1A1 P00352 2/20 0.49
NFKB1 P19838 2/20 0.49
NFKB2 Q00653 2/20 0.49
RELA Q04206 2/20 0.49
MAPK1 P28482 2/20 0.49
GAA P10253 1/20 0.48
USP2 O75604 1/20 0.47
ELOVL1 Q9BW60 1/20 0.47
TSHR P16473 1/20 0.46
HTT P42858 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
SCHEMBL439246 0.87 WNT3A (0.58) ROCK1PRKACACYP3A4NPC1RAB9A
SCHEMBL436513 0.87 ROCK1 (0.58) ROCK1PRKACACYP3A4NPC1RAB9A
SCHEMBL436508 0.86 ROCK1 (0.53) ROCK1PRKACACYP3A4NPC1RAB9A
SCHEMBL437330 0.86 ROCK1 (0.57) ROCK1PRKACACYP3A4NPC1RAB9A
SCHEMBL438723 0.85 ROCK1 (0.56) ROCK1PRKACACYP3A4NPC1RAB9A
SCHEMBL438722 0.85 CYP3A4 (0.57) ROCK1PRKACACYP3A4NPC1RAB9A
SCHEMBL437320 0.84 ELOVL1 (0.58) ROCK1PRKACACYP3A4NPC1RAB9A
SCHEMBL437400 0.80 ROCK1 (0.53) ROCK1PRKACACYP3A4NPC1RAB9A
SCHEMBL436405 0.77 WNT3A (0.68) ROCK1PRKACACYP3A4NPC1RAB9A
SCHEMBL13887770 0.76 ROCK1 (0.57) ROCK1PRKACACYP3A4RAB9AMEN1

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 9 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
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 99/4885CYP3A4 4395/4885
US-20120065213-A1 C-MET PROTEIN KINASE INHIBITORS MET, PRKCH, MYLK ROCK1 4/4885PRKACA 61/4885CYP3A4 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.