SCHEMBL3885579

SCHEMBL3885579

CC1=C(C(=O)Nc2ccc3[nH]nc(Cl)c3c2)C(c2ccc(Cl)cc2)CC(=O)N1C

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 3/20 0.53
LRRK2 Q5S007 7/20 0.42
ROCK1 Q13464 5/20 0.42
RPS6KA1 Q15418 5/20 0.42
RPS6KB1 P23443 4/20 0.42
JAK2 O60674 3/20 0.41
JAK1 P23458 3/20 0.41
SYK P43405 1/20 0.39
TYRO3 Q06418 1/20 0.39
CCNC P24863 1/20 0.37
CDK8 P49336 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
SCHEMBL3888145 0.93 GPBAR1 (0.53) GPBAR1LRRK2ROCK1RPS6KA1RPS6KB1
SCHEMBL3889234 0.91 ROCK1 (0.53) GPBAR1LRRK2ROCK1RPS6KA1RPS6KB1
SCHEMBL3887046 0.87 JAK2 (0.40) GPBAR1LRRK2ROCK1RPS6KA1RPS6KB1
SCHEMBL3889402 0.84 ROCK1 (0.60) GPBAR1LRRK2ROCK1RPS6KA1RPS6KB1
SCHEMBL3884454 0.81 ROCK1 (0.41) LRRK2ROCK1RPS6KA1RPS6KB1JAK2
SCHEMBL3887155 0.80 LRRK2 (0.43) GPBAR1LRRK2ROCK1RPS6KA1RPS6KB1
SCHEMBL3883730 0.76 ROCK1 (0.69) ROCK1RPS6KA1RPS6KB1
SCHEMBL3887987 0.76 ROCK1 (0.60) GPBAR1ROCK1RPS6KA1RPS6KB1JAK2
SCHEMBL3861882 0.74 ROCK1 (0.71) LRRK2ROCK1RPS6KA1RPS6KB1
SCHEMBL3887118 0.74 ROCK1 (0.73) GPBAR1LRRK2ROCK1RPS6KA1RPS6KB1

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 GPBAR1 2826/4885LRRK2 406/4885ROCK1 6/4885

“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.