SCHEMBL6201813

SCHEMBL6201813

CC(NC(=O)OC(C)(C)C)c1cccc(Oc2cncnc2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 2/20 0.46
ROCK1 Q13464 6/20 0.42
PRKACA P17612 3/20 0.42
GSK3A P49840 3/20 0.42
GSK3B P49841 3/20 0.42
PRKX P51817 3/20 0.42
PRKCQ Q04759 2/20 0.42
MST1R Q04912 1/20 0.42
ROCK2 O75116 7/20 0.42
PRKG1 Q13976 5/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2D6 P10635 2/20 0.42
CYP2C9 P11712 2/20 0.42
PRKCG P05129 2/20 0.42
RPS6KB1 P23443 2/20 0.42
MAPK1 P28482 2/20 0.42
PRKCD Q05655 2/20 0.42
PKN2 Q16513 2/20 0.42
CLK4 Q9HAZ1 2/20 0.42
SGK2 Q9HBY8 2/20 0.42

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
SCHEMBL6201803 1.00 ACACB (0.46) ACACBROCK1PRKACAGSK3AGSK3B
SCHEMBL6226884 0.90 LMNA (0.47) ROCK1PRKACAGSK3AGSK3BPRKX
SCHEMBL6226878 0.90 LMNA (0.47) ROCK1PRKACAGSK3AGSK3BPRKX
SCHEMBL6497420 0.87 ROCK2 (0.50) ROCK1PRKACAGSK3AGSK3BPRKX
SCHEMBL6203937 0.87 ROCK2 (0.50) ROCK1PRKACAGSK3AGSK3BPRKX
SCHEMBL6200888 0.83 P2RX3 (0.42) ACACBROCK1PRKACAGSK3AGSK3B
SCHEMBL6200898 0.83 P2RX3 (0.42) ACACBROCK1PRKACAGSK3AGSK3B
SCHEMBL6485057 0.82 MEN1 (0.47) ROCK1PRKACAGSK3AGSK3BPRKX
SCHEMBL6202188 0.82 MEN1 (0.47) ROCK1PRKACAGSK3AGSK3BPRKX
SCHEMBL6485458 0.82 ROCK1 (0.44) ACACBROCK1PRKACAGSK3AGSK3B

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 2465/4885ROCK1 3191/4885PRKACA 2402/4885

“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.