SCHEMBL438722

SCHEMBL438722

CN(C)c1cc(-c2csc(NC(=O)Cc3cc4c(cc3Cl)OCO4)n2)ccn1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.57
ROCK1 Q13464 4/20 0.56
PRKACA P17612 1/20 0.56
NPC1 O15118 7/20 0.50
RAB9A P51151 7/20 0.50
MAPT P10636 5/20 0.50
MEN1 O00255 5/20 0.50
KMT2A Q03164 5/20 0.50
ALDH1A1 P00352 2/20 0.50
MAPK1 P28482 2/20 0.50
SMN1; SMN2 Q16637 6/20 0.48
LMNA P02545 5/20 0.48
NFKB1 P19838 2/20 0.48
NFKB2 Q00653 2/20 0.48
RELA Q04206 2/20 0.48
ELOVL1 Q9BW60 1/20 0.48
WNT3A P56704 1/20 0.47
GAA P10253 1/20 0.46
TSHR P16473 1/20 0.46
CLK1 P49759 1/20 0.46

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 0.88 WNT3A (0.58) CYP3A4ROCK1PRKACANPC1RAB9A
SCHEMBL436513 0.88 ROCK1 (0.58) CYP3A4ROCK1PRKACANPC1RAB9A
SCHEMBL13213635 0.87 CYP3A4 (0.61) CYP3A4ROCK1PRKACANPC1RAB9A
SCHEMBL437330 0.86 ROCK1 (0.57) CYP3A4ROCK1PRKACANPC1RAB9A
SCHEMBL438723 0.86 ROCK1 (0.56) CYP3A4ROCK1PRKACANPC1RAB9A
SCHEMBL436506 0.85 ROCK1 (0.53) CYP3A4ROCK1PRKACANPC1RAB9A
SCHEMBL436508 0.85 ROCK1 (0.53) CYP3A4ROCK1PRKACANPC1RAB9A
SCHEMBL439503 0.84 CYP3A4 (0.64) CYP3A4ROCK1PRKACANPC1RAB9A
SCHEMBL437400 0.81 ROCK1 (0.53) CYP3A4ROCK1PRKACANPC1RAB9A
SCHEMBL13887770 0.77 ROCK1 (0.57) CYP3A4ROCK1PRKACARAB9AMAPT

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 CYP3A4 4395/4885ROCK1 1/4885PRKACA 99/4885
US-20120065213-A1 C-MET PROTEIN KINASE INHIBITORS MET, PRKCH, MYLK CYP3A4 3859/4885ROCK1 4/4885PRKACA 61/4885

“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.