SCHEMBL6203937

SCHEMBL6203937

CC(NC(=O)OC(C)(C)C)c1cccc(Oc2ccncc2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 11/20 0.50
ROCK1 Q13464 11/20 0.50
PRKG1 Q13976 9/20 0.50
PRKACA P17612 6/20 0.50
GSK3A P49840 6/20 0.50
GSK3B P49841 6/20 0.50
PRKX P51817 5/20 0.50
CLK4 Q9HAZ1 5/20 0.50
RPS6KB1 P23443 4/20 0.50
PRKCD Q05655 4/20 0.50
PKN2 Q16513 4/20 0.50
SGK2 Q9HBY8 4/20 0.50
PRKCQ Q04759 3/20 0.50
CDK2 P24941 3/20 0.50
AKT2 P31751 3/20 0.50
PRKG2 Q13237 3/20 0.50
HIPK4 Q8NE63 3/20 0.50
MAPK1 P28482 3/20 0.50
CHEK1 O14757 2/20 0.50
IRAK1 P51617 2/20 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
SCHEMBL6497420 1.00 ROCK2 (0.50) ROCK2ROCK1PRKG1PRKACAGSK3A
SCHEMBL6226878 0.88 LMNA (0.47) ROCK2ROCK1PRKG1PRKACAGSK3A
SCHEMBL6226884 0.88 LMNA (0.47) ROCK2ROCK1PRKG1PRKACAGSK3A
SCHEMBL6201813 0.87 ACACB (0.46) ROCK2ROCK1PRKG1PRKACAGSK3A
SCHEMBL6201803 0.87 ACACB (0.46) ROCK2ROCK1PRKG1PRKACAGSK3A
SCHEMBL6202188 0.86 MEN1 (0.47) ROCK2ROCK1PRKG1PRKACAGSK3A
SCHEMBL6485057 0.86 MEN1 (0.47) ROCK2ROCK1PRKG1PRKACAGSK3A
SCHEMBL6485458 0.83 ROCK1 (0.44) ROCK2ROCK1PRKG1PRKACAGSK3A
SCHEMBL6202758 0.83 ROCK1 (0.44) ROCK2ROCK1PRKG1PRKACAGSK3A
SCHEMBL6487046 0.83 ACACB (0.44) ROCK2ROCK1PRKG1PRKACAGSK3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1581498-A2 PYRIDINYL, PYRIMIDINYL AND PYRAZINYL AMIDES AS POTASSIUM CHANNEL OPENERS Bristol-Myers Squibb Company (US) 2005-10-05 EP disclosed
US-6900210-B2 Pyridinyl, pyrimidinyl and pyrazinyl amides as potassium channel openers BRISTOL-MYERS SQUIBB COMPANY (US) 2005-05-31 US disclosed
WO-2004047739-A2 PYRIDINYL, PYRIMIDINYL AND PYRAZINYL AMIDES AS POTASSIUM CHANNEL OPENERS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-06-10 WO disclosed
US-20040102449-A1 Pyridinyl, pyrimidinyl and pyrazinyl amides as potassium channel openers BRISTOL-MYERS SQUIBB COMPANY 2004-05-27 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-20040102449-A1 Pyridinyl, pyrimidinyl and pyrazinyl amides as potassium channel openers KCNQ5, KCNQ2, KCNQ3 ROCK2 3350/4885ROCK1 3191/4885PRKG1 2471/4885

“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.