SCHEMBL3885174

SCHEMBL3885174

CC1=C(C(=O)Nc2cc3cn[nH]c3cc2F)C(c2ccc(C(F)(F)F)cc2)CC(=O)N1CC(C)C

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 12/20 0.68
RPS6KA1 Q15418 9/20 0.68
RPS6KB1 P23443 8/20 0.68
ROCK2 O75116 1/20 0.68
GRK2 P25098 4/20 0.38
GPBAR1 Q8TDU6 2/20 0.38
ACACB O00763 1/20 0.38
ACACA Q13085 1/20 0.38
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
DHODH Q02127 1/20 0.36
GRK5 P34947 1/20 0.36
P2RX7 Q99572 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
SCHEMBL3867552 0.92 ROCK1 (0.70) ROCK1RPS6KA1RPS6KB1ROCK2GRK2
SCHEMBL4025245 0.88 ROCK1 (0.66) ROCK1RPS6KA1RPS6KB1ROCK2GRK2
SCHEMBL3893789 0.87 ROCK1 (0.73) ROCK1RPS6KA1RPS6KB1ROCK2GRK2
SCHEMBL3884750 0.84 ROCK1 (0.60) ROCK1RPS6KA1RPS6KB1ROCK2GRK2
SCHEMBL29366060 0.81 ROCK1 (1.00) ROCK1RPS6KA1RPS6KB1ROCK2GRK2
SCHEMBL2801740 0.81 ROCK1 (1.00) ROCK1RPS6KA1RPS6KB1ROCK2GRK2
SCHEMBL3884931 0.78 ROCK1 (0.60) ROCK1RPS6KA1RPS6KB1ROCK2ACACB
SCHEMBL3884743 0.78 ROCK1 (0.59) ROCK1RPS6KA1RPS6KB1ROCK2GRK2
SCHEMBL22355762 0.76 ROCK1 (0.73) ROCK1RPS6KA1RPS6KB1ROCK2GRK2
SCHEMBL29389299 0.75 ROCK1 (0.55) ROCK1RPS6KA1RPS6KB1ROCK2GRK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7592357-B2 Compounds SMITHKLINE BEECHAM CORPORATION (US) 2009-09-22 US claimed
US-20080058384-A1 Novel Compounds GLAXOSMITHKLINE LLC 2008-03-06 US 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.