SCHEMBL3884563

SCHEMBL3884563

CC1=C(C(=O)Nc2cc3c(Cl)n[nH]c3cc2F)C(c2ccc(C(F)(F)F)cc2F)CC(=O)N1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 11/20 0.58
RPS6KA1 Q15418 7/20 0.58
RPS6KB1 P23443 6/20 0.58
ROCK2 O75116 1/20 0.58
TP53 P04637 1/20 0.41
GPBAR1 Q8TDU6 1/20 0.40
CYP3A4 P08684 2/20 0.36
CYP2D6 P10635 2/20 0.36
CYP2C9 P11712 2/20 0.36
TSHR P16473 1/20 0.35
NTRK1 P04629 1/20 0.35
RET P07949 1/20 0.35
PDGFRB P09619 1/20 0.35
PDGFRA P16234 1/20 0.35
KDR P35968 1/20 0.35
CDK8 P49336 1/20 0.35
NTRK3 Q16288 1/20 0.35
MAPK14 Q16539 1/20 0.35
NTRK2 Q16620 1/20 0.35
IDO1 P14902 1/20 0.35

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
SCHEMBL3887066 0.90 ROCK1 (0.71) ROCK1RPS6KA1RPS6KB1ROCK2TP53
SCHEMBL3884120 0.90 GPBAR1 (0.49) ROCK1RPS6KA1RPS6KB1ROCK2TP53
SCHEMBL3896684 0.89 ROCK1 (0.57) ROCK1RPS6KA1RPS6KB1ROCK2TP53
SCHEMBL3886366 0.84 ROCK1 (0.81) ROCK1RPS6KA1RPS6KB1ROCK2TP53
SCHEMBL3886638 0.83 ROCK1 (0.58) ROCK1RPS6KA1RPS6KB1ROCK2TP53
SCHEMBL3886646 0.80 ROCK1 (0.59) ROCK1RPS6KA1RPS6KB1ROCK2TP53
SCHEMBL3886340 0.79 ROCK1 (0.57) ROCK1RPS6KA1RPS6KB1ROCK2TP53
SCHEMBL3885671 0.78 ROCK1 (0.50) ROCK1RPS6KA1RPS6KB1ROCK2TP53
SCHEMBL3885704 0.78 ROCK1 (0.56) ROCK1RPS6KA1RPS6KB1ROCK2TP53
SCHEMBL3887118 0.77 ROCK1 (0.73) ROCK1RPS6KA1RPS6KB1ROCK2TP53

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7592357-B2 Compounds SMITHKLINE BEECHAM CORPORATION (US) 2009-09-22 US claimed
EP-1718638-A4 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2009-04-22 EP claimed
US-20080058384-A1 Novel Compounds GLAXOSMITHKLINE LLC 2008-03-06 US claimed
EP-1718638-A1 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-11-08 EP claimed
WO-2005082890-A1 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2005-09-09 WO claimed
US-7592357-B2 Compounds SMITHKLINE BEECHAM CORPORATION (US) 2009-09-22 US disclosed
US-7592357-B2 Compounds SMITHKLINE BEECHAM CORPORATION (US) 2009-09-22 US disclosed
US-7592357-B2 Compounds SMITHKLINE BEECHAM CORPORATION (US) 2009-09-22 US disclosed
EP-1718638-A4 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2009-04-22 EP disclosed
US-20080058384-A1 Novel Compounds GLAXOSMITHKLINE LLC 2008-03-06 US disclosed
US-20080058384-A1 Novel Compounds GLAXOSMITHKLINE LLC 2008-03-06 US disclosed
US-20080058384-A1 Novel Compounds GLAXOSMITHKLINE LLC 2008-03-06 US disclosed
EP-1718638-A1 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-11-08 EP disclosed
WO-2005082890-A1 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2005-09-09 WO 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 (1 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-20080058384-A1 Novel Compounds ARHGDIB, TNK2, ROCK2 ROCK1 6/4885RPS6KA1 304/4885RPS6KB1 195/4885

“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.