SCHEMBL3884750

SCHEMBL3884750

COc1cccc(CN2C(=O)CC(c3ccc(C(F)(F)F)cc3)C(C(=O)Nc3cc4cn[nH]c4cc3F)=C2C)c1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 11/20 0.60
ROCK2 O75116 6/20 0.60
RPS6KA1 Q15418 4/20 0.60
RPS6KB1 P23443 3/20 0.60
GRK2 P25098 1/20 0.43
GRK5 P34947 1/20 0.43
SRPK1 Q96SB4 1/20 0.42
GPBAR1 Q8TDU6 3/20 0.41
FPR1 P21462 1/20 0.38
FPR2 P25090 1/20 0.38
PDE2A O00408 1/20 0.37
PAX8 Q06710 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 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
SCHEMBL3867552 0.86 ROCK1 (0.70) ROCK1ROCK2RPS6KA1RPS6KB1GRK2
SCHEMBL3885174 0.84 ROCK1 (0.68) ROCK1ROCK2RPS6KA1RPS6KB1GRK2
SCHEMBL4025245 0.83 ROCK1 (0.66) ROCK1ROCK2RPS6KA1RPS6KB1GRK2
SCHEMBL3893789 0.82 ROCK1 (0.73) ROCK1ROCK2RPS6KA1RPS6KB1GRK2
SCHEMBL3891191 0.79 GPBAR1 (0.55) GPBAR1PAX8
SCHEMBL3895665 0.79 GPBAR1 (0.51) GPBAR1PAX8
SCHEMBL2801740 0.76 ROCK1 (1.00) ROCK1ROCK2RPS6KA1RPS6KB1GRK2
SCHEMBL29366060 0.76 ROCK1 (1.00) ROCK1ROCK2RPS6KA1RPS6KB1GRK2
SCHEMBL3884931 0.75 ROCK1 (0.60) ROCK1ROCK2RPS6KA1RPS6KB1CYP3A4
SCHEMBL3884743 0.73 ROCK1 (0.59) ROCK1ROCK2RPS6KA1RPS6KB1GRK2

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 6/4885ROCK2 3/4885RPS6KA1 304/4885

“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.