SCHEMBL6200898

SCHEMBL6200898

Cc1ccc(Oc2cccc(C(C)NC(=O)OC(C)(C)C)c2)cn1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 2/20 0.42
P2RX2 Q9UBL9 2/20 0.42
ROCK2 O75116 4/20 0.41
ROCK1 Q13464 2/20 0.41
ACACA Q13085 5/20 0.41
ACACB O00763 4/20 0.41
GRM5 P41594 2/20 0.40
POLB P06746 1/20 0.40
PRKACA P17612 1/20 0.40
GSK3A P49840 1/20 0.40
GSK3B P49841 1/20 0.40
PRKX P51817 1/20 0.40
PRKCQ Q04759 1/20 0.40
MST1R Q04912 1/20 0.40
PRKG1 Q13976 1/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL6200888 1.00 P2RX3 (0.42) P2RX3P2RX2ROCK2ROCK1ACACA
SCHEMBL6226878 0.87 LMNA (0.47) ROCK2ROCK1PRKACAGSK3AGSK3B
SCHEMBL6226884 0.87 LMNA (0.47) ROCK2ROCK1PRKACAGSK3AGSK3B
SCHEMBL6201803 0.83 ACACB (0.46) ROCK2ROCK1ACACAACACBGRM5
SCHEMBL6201813 0.83 ACACB (0.46) ROCK2ROCK1ACACAACACBGRM5
SCHEMBL6203937 0.82 ROCK2 (0.50) ROCK2ROCK1PRKACAGSK3AGSK3B
SCHEMBL6485057 0.82 MEN1 (0.47) ROCK2ROCK1POLBPRKACAGSK3A
SCHEMBL6202188 0.82 MEN1 (0.47) ROCK2ROCK1POLBPRKACAGSK3A
SCHEMBL6497420 0.82 ROCK2 (0.50) ROCK2ROCK1PRKACAGSK3AGSK3B
SCHEMBL595359 0.80 TRPA1 (0.44) P2RX3P2RX2MAPK1

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 P2RX3 105/4885P2RX2 128/4885ROCK2 3350/4885

“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.