SCHEMBL3887987

SCHEMBL3887987

CC1=C(C(=O)Nc2ccc3[nH]nc(C)c3c2)C(c2ccc(Cl)cc2)CC(=O)N1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 12/20 0.60
RPS6KA1 Q15418 8/20 0.60
RPS6KB1 P23443 7/20 0.60
TP53 P04637 2/20 0.48
JAK2 O60674 2/20 0.45
JAK1 P23458 2/20 0.45
ROCK2 O75116 1/20 0.44
GPBAR1 Q8TDU6 1/20 0.44
GRK2 P25098 3/20 0.42
GRK5 P34947 1/20 0.42
HTT P42858 1/20 0.41
FGFR1 P11362 1/20 0.41
LMNA P02545 1/20 0.40

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
SCHEMBL3891264 0.90 ROCK1 (0.62) ROCK1RPS6KA1RPS6KB1TP53JAK2
Gsk-466314A SCHEMBL3883547 0.88 ROCK1 (0.75) ROCK1RPS6KA1RPS6KB1ROCK2GPBAR1
SCHEMBL3892998 0.88 ROCK1 (0.59) ROCK1RPS6KA1RPS6KB1JAK2JAK1
SCHEMBL3860866 0.87 ROCK1 (0.50) ROCK1RPS6KA1RPS6KB1TP53JAK2
SCHEMBL3887020 0.86 ROCK1 (0.73) ROCK1RPS6KA1RPS6KB1JAK2JAK1
SCHEMBL3883730 0.85 ROCK1 (0.69) ROCK1RPS6KA1RPS6KB1TP53ROCK2
SCHEMBL3888145 0.83 GPBAR1 (0.53) ROCK1RPS6KA1RPS6KB1JAK2JAK1
SCHEMBL3884118 0.83 ROCK1 (0.84) ROCK1RPS6KA1RPS6KB1ROCK2GRK2
SCHEMBL3887118 0.83 ROCK1 (0.73) ROCK1RPS6KA1RPS6KB1TP53JAK2
SCHEMBL3887152 0.83 ROCK1 (0.62) ROCK1RPS6KA1RPS6KB1TP53JAK2

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.