SCHEMBL4932764

SCHEMBL4932764

CC1=C(C(=O)Nc2ccc3[nH]ncc3c2)C(c2ccc(F)cc2)N=C(c2ccc(C)c(F)c2)N1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 19/20 1.00
RPS6KB1 P23443 4/20 0.80
RPS6KA1 Q15418 4/20 0.80
CYP3A4 P08684 4/20 0.80
CYP2D6 P10635 4/20 0.80
CYP2C9 P11712 1/20 0.80
GRK2 P25098 1/20 0.60
GRK5 P34947 1/20 0.60

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
SCHEMBL8270848 0.92 ROCK1 (0.85) ROCK1RPS6KB1RPS6KA1CYP3A4CYP2D6
SCHEMBL4934940 0.91 ROCK1 (1.00) ROCK1RPS6KB1RPS6KA1CYP3A4CYP2D6
SCHEMBL4932851 0.89 ROCK1 (1.00) ROCK1RPS6KB1RPS6KA1CYP3A4CYP2D6
SCHEMBL4926469 0.89 ROCK1 (1.00) ROCK1RPS6KB1RPS6KA1CYP3A4CYP2D6
SCHEMBL4935911 0.88 ROCK1 (1.00) ROCK1RPS6KB1RPS6KA1CYP3A4CYP2D6
SCHEMBL4926348 0.88 ROCK1 (1.00) ROCK1RPS6KB1RPS6KA1CYP3A4CYP2D6
SCHEMBL4938854 0.88 ROCK1 (0.84) ROCK1RPS6KB1RPS6KA1CYP3A4CYP2D6
SCHEMBL4934024 0.88 ROCK1 (1.00) ROCK1RPS6KB1RPS6KA1CYP3A4CYP2D6
SCHEMBL4935941 0.86 ROCK1 (0.81) ROCK1RPS6KB1RPS6KA1CYP3A4CYP2D6
SCHEMBL4934671 0.86 ROCK1 (0.84) ROCK1RPS6KB1RPS6KA1CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080125427-A1 Novel Inhibitors of Rho-Kinases SMITHKLINE BEECHAM CORPORATION (US) 2008-05-29 US claimed
US-20080125427-A1 Novel Inhibitors of Rho-Kinases SMITHKLINE BEECHAM CORPORATION (US) 2008-05-29 US disclosed
US-20080125427-A1 Novel Inhibitors of Rho-Kinases SMITHKLINE BEECHAM CORPORATION (US) 2008-05-29 US disclosed
US-20080125427-A1 Novel Inhibitors of Rho-Kinases SMITHKLINE BEECHAM CORPORATION (US) 2008-05-29 US disclosed
EP-1756092-A1 NOVEL INHIBITORS OF RHO-KINASES SMITHKLINE BEECHAM CORPORATION (US) 2007-02-28 EP disclosed
WO-2006009889-A1 NOVEL INHIBITORS OF RHO-KINASES SMITHKLINE BEECHAM CORPORATION (US) 2006-01-26 WO disclosed
WO-2006009889-A1 NOVEL INHIBITORS OF RHO-KINASES SMITHKLINE BEECHAM CORPORATION (US) 2006-01-26 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-20080125427-A1 Novel Inhibitors of Rho-Kinases ROCK1, ARHGDIB, ARHGDIA ROCK1 1/4885RPS6KB1 261/4885RPS6KA1 289/4885

“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.