SCHEMBL4506582

SCHEMBL4506582

CC1=C(C(=O)Nc2ccc3[nH]ncc3c2)C(C2(Cl)C=CC(c3ccccc3)=CC2)NC(=O)N1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 18/20 0.54
GRK2 P25098 16/20 0.54
GRK5 P34947 12/20 0.54
RPS6KB1 P23443 5/20 0.54
RPS6KA1 Q15418 5/20 0.54
GRK1 Q15835 6/20 0.50
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49

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
SCHEMBL2567568 0.78 GRK2 (0.80) ROCK1GRK2GRK5RPS6KB1RPS6KA1
SCHEMBL2565505 0.77 GRK2 (0.82) ROCK1GRK2GRK5RPS6KB1RPS6KA1
SCHEMBL2565978 0.76 GRK2 (0.71) ROCK1GRK2GRK5RPS6KB1RPS6KA1
SCHEMBL12162716 0.74 GRK2 (0.63) ROCK1GRK2GRK5RPS6KB1RPS6KA1
SCHEMBL2567360 0.74 GRK2 (0.63) ROCK1GRK2GRK5RPS6KB1RPS6KA1
SCHEMBL2566824 0.74 GRK2 (0.63) ROCK1GRK2GRK5RPS6KB1RPS6KA1
SCHEMBL2570905 0.74 GRK2 (0.68) ROCK1GRK2GRK5RPS6KB1RPS6KA1
SCHEMBL2566490 0.74 ROCK1 (0.70) ROCK1GRK2GRK5RPS6KB1RPS6KA1
SCHEMBL2565919 0.74 ROCK1 (0.58) ROCK1GRK2GRK5RPS6KB1RPS6KA1
SCHEMBL2565917 0.74 ROCK1 (0.58) ROCK1GRK2GRK5RPS6KB1RPS6KA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7560467-B2 Indazolo-tetrahydropyrimidine-carboxamide derivative kinase inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2009-07-14 US disclosed
US-20070099944-A1 Chemical compounds SMITHKLINE BEECHAM CORPORATION 2007-05-03 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-20070099944-A1 Chemical compounds ROCK1, ROCK2, CIT ROCK1 1/4885GRK2 165/4885GRK5 68/4885

“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.