SCHEMBL3886646

SCHEMBL3886646

CC1=C(C(=O)Nc2ccc3[nH]nc(C)c3c2)C(c2ccc(C(F)(F)F)cc2F)CC(=O)N1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 11/20 0.59
RPS6KA1 Q15418 7/20 0.59
RPS6KB1 P23443 6/20 0.59
ROCK2 O75116 1/20 0.49
TP53 P04637 1/20 0.42
LRRK2 Q5S007 2/20 0.40
IDO1 P14902 1/20 0.39
BRD4 O60885 1/20 0.39
CREBBP Q92793 1/20 0.39
GRK2 P25098 1/20 0.38
GPBAR1 Q8TDU6 1/20 0.37

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
SCHEMBL3886340 0.92 ROCK1 (0.57) ROCK1RPS6KA1RPS6KB1ROCK2TP53
SCHEMBL3896684 0.92 ROCK1 (0.57) ROCK1RPS6KA1RPS6KB1ROCK2TP53
SCHEMBL3885704 0.90 ROCK1 (0.56) ROCK1RPS6KA1RPS6KB1ROCK2TP53
SCHEMBL3860866 0.88 ROCK1 (0.50) ROCK1RPS6KA1RPS6KB1ROCK2TP53
Gsk-466314A SCHEMBL3883547 0.88 ROCK1 (0.75) ROCK1RPS6KA1RPS6KB1ROCK2LRRK2
SCHEMBL3883996 0.85 ROCK1 (0.42) ROCK1RPS6KA1RPS6KB1ROCK2LRRK2
SCHEMBL3885823 0.85 ROCK1 (0.79) ROCK1RPS6KA1RPS6KB1ROCK2GRK2
SCHEMBL3885671 0.81 ROCK1 (0.50) ROCK1RPS6KA1RPS6KB1ROCK2TP53
SCHEMBL3884563 0.80 ROCK1 (0.58) ROCK1RPS6KA1RPS6KB1ROCK2TP53
SCHEMBL3883370 0.80 ROCK1 (0.49) 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.