SCHEMBL2567041

SCHEMBL2567041

CC1=C(C(=O)Nc2ccc3[nH]ncc3c2)C(C#Cc2ccccc2)NC(=O)N1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 16/20 0.60
GRK2 P25098 12/20 0.60
GRK5 P34947 8/20 0.60
RPS6KA1 Q15418 6/20 0.60
RPS6KB1 P23443 5/20 0.60
GRK1 Q15835 2/20 0.54
NPC1 O15118 1/20 0.53
JAK2 O60674 1/20 0.53
RAB9A P51151 1/20 0.53
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
KDM4E B2RXH2 1/20 0.50
MEN1 O00255 1/20 0.50
ALDH1A1 P00352 1/20 0.50
MAPT P10636 1/20 0.50
KMT2A Q03164 1/20 0.50

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
SCHEMBL2566979 0.82 GRK2 (0.61) ROCK1GRK2GRK5RPS6KA1RPS6KB1
SCHEMBL2565505 0.82 GRK2 (0.82) ROCK1GRK2GRK5RPS6KA1RPS6KB1
SCHEMBL2568374 0.81 GRK2 (0.60) ROCK1GRK2GRK5RPS6KA1RPS6KB1
SCHEMBL2566490 0.80 ROCK1 (0.70) ROCK1GRK2GRK5RPS6KA1RPS6KB1
SCHEMBL2567568 0.79 GRK2 (0.80) ROCK1GRK2GRK5RPS6KA1RPS6KB1
SCHEMBL2569911 0.78 ROCK1 (0.60) ROCK1GRK2GRK5RPS6KA1RPS6KB1
SCHEMBL2571564 0.78 ROCK1 (0.60) ROCK1GRK2GRK5RPS6KA1RPS6KB1
SCHEMBL2569910 0.78 ROCK1 (0.60) ROCK1GRK2GRK5RPS6KA1RPS6KB1
SCHEMBL2569675 0.78 ROCK1 (0.60) ROCK1GRK2GRK5RPS6KA1RPS6KB1
SCHEMBL2570946 0.78 GRK2 (0.69) ROCK1GRK2GRK5RPS6KA1RPS6KB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1633740-B1 5-(ACYLAMINO)INDAZOLE DERIVATIVES AS KINASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2011-11-09 EP claimed
US-7560467-B2 Indazolo-tetrahydropyrimidine-carboxamide derivative kinase inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2009-07-14 US claimed
EP-1633740-A4 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2008-11-19 EP claimed
JP-2007516173-A 2007-06-21 JP claimed
US-20070099944-A1 Chemical compounds SMITHKLINE BEECHAM CORPORATION 2007-05-03 US claimed
EP-1633740-A2 CHEMICAL COMPOUNDS SmithKline Beecham Corporation (US) 2006-03-15 EP claimed
WO-2004112719-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2004-12-29 WO claimed
EP-1633740-B1 5-(ACYLAMINO)INDAZOLE DERIVATIVES AS KINASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2011-11-09 EP disclosed
US-7560467-B2 Indazolo-tetrahydropyrimidine-carboxamide derivative kinase inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2009-07-14 US disclosed
US-7560467-B2 Indazolo-tetrahydropyrimidine-carboxamide derivative kinase inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2009-07-14 US disclosed
EP-1633740-A4 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2008-11-19 EP disclosed
US-20070099944-A1 Chemical compounds SMITHKLINE BEECHAM CORPORATION 2007-05-03 US disclosed
US-20070099944-A1 Chemical compounds SMITHKLINE BEECHAM CORPORATION 2007-05-03 US disclosed
EP-1633740-A2 CHEMICAL COMPOUNDS SmithKline Beecham Corporation (US) 2006-03-15 EP disclosed
WO-2004112719-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2004-12-29 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-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.