SCHEMBL6204510

SCHEMBL6204510

CC(NC(=O)OC(C)(C)C)c1cccc(Oc2ccccn2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 2/20 0.44
ACACA Q13085 1/20 0.44
MAPK8 P45983 1/20 0.42
CTSK P43235 2/20 0.41
ROCK1 Q13464 8/20 0.41
ROCK2 O75116 6/20 0.41
PRKACA P17612 3/20 0.41
GSK3A P49840 3/20 0.41
GSK3B P49841 3/20 0.41
PRKX P51817 3/20 0.41
PRKCQ Q04759 2/20 0.41
MST1R Q04912 1/20 0.41
PRKG1 Q13976 3/20 0.40
RPS6KB1 P23443 2/20 0.40
CDK2 P24941 2/20 0.40
MAPK1 P28482 2/20 0.40
AKT2 P31751 2/20 0.40
IRAK1 P51617 2/20 0.40
CDK5 Q00535 2/20 0.40
PRKCD Q05655 2/20 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
SCHEMBL6487046 1.00 ACACB (0.44) ACACBACACAMAPK8CTSKROCK1
SCHEMBL6202188 0.87 MEN1 (0.47) MAPK8ROCK1ROCK2PRKACAGSK3A
SCHEMBL6485057 0.87 MEN1 (0.47) MAPK8ROCK1ROCK2PRKACAGSK3A
SCHEMBL6485458 0.87 ROCK1 (0.44) ACACBACACAROCK1ROCK2PRKACA
SCHEMBL6202758 0.87 ROCK1 (0.44) ACACBACACAROCK1ROCK2PRKACA
SCHEMBL6497420 0.83 ROCK2 (0.50) ROCK1ROCK2PRKACAGSK3AGSK3B
SCHEMBL6203937 0.83 ROCK2 (0.50) ROCK1ROCK2PRKACAGSK3AGSK3B
SCHEMBL6226884 0.81 LMNA (0.47) ROCK1ROCK2PRKACAGSK3AGSK3B
SCHEMBL6226878 0.81 LMNA (0.47) ROCK1ROCK2PRKACAGSK3AGSK3B
SCHEMBL6201803 0.80 ACACB (0.46) ACACBACACACTSKROCK1ROCK2

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 ACACB 2465/4885ACACA 2448/4885MAPK8 1740/4885

“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.