SCHEMBL3887155

SCHEMBL3887155

CC1=C(C(=O)Nc2ccc3[nH]nc(C)c3c2)C(c2ccc(Cl)cc2F)CC(=O)N1C

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 8/20 0.43
ROCK1 Q13464 5/20 0.42
JAK2 O60674 3/20 0.40
JAK1 P23458 3/20 0.40
CYP3A4 P08684 4/20 0.40
CYP2D6 P10635 4/20 0.40
RPS6KB1 P23443 1/20 0.39
RPS6KA1 Q15418 1/20 0.39
GPBAR1 Q8TDU6 2/20 0.38
SYK P43405 1/20 0.36
TYRO3 Q06418 1/20 0.36
DYRK1A Q13627 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
SCHEMBL3887046 0.93 JAK2 (0.40) LRRK2ROCK1JAK2JAK1CYP3A4
SCHEMBL3883996 0.89 ROCK1 (0.42) LRRK2ROCK1RPS6KB1RPS6KA1SYK
SCHEMBL3888145 0.87 GPBAR1 (0.53) LRRK2ROCK1JAK2JAK1RPS6KB1
SCHEMBL3860919 0.85 ROCK1 (0.54) LRRK2ROCK1CYP3A4CYP2D6RPS6KB1
SCHEMBL3860866 0.85 ROCK1 (0.50) ROCK1JAK2JAK1CYP3A4CYP2D6
SCHEMBL3884454 0.84 ROCK1 (0.41) LRRK2ROCK1JAK2JAK1RPS6KB1
SCHEMBL3885579 0.80 GPBAR1 (0.53) LRRK2ROCK1JAK2JAK1RPS6KB1
SCHEMBL3885671 0.78 ROCK1 (0.50) ROCK1JAK2JAK1CYP3A4CYP2D6
SCHEMBL4324693 0.77 ROCK1 (0.54) LRRK2ROCK1CYP3A4CYP2D6RPS6KB1
SCHEMBL3883370 0.77 ROCK1 (0.49) ROCK1JAK2JAK1CYP3A4CYP2D6

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
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
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

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 LRRK2 406/4885ROCK1 6/4885JAK2 1868/4885

“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.