SCHEMBL6202729

SCHEMBL6202729

CC(NC(=O)C=Cc1cc(F)ccc1F)c1cccc(Oc2ccccn2)c1

nearest known ligand 0.75

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 1/20 0.41
▸ ACACA Q13085 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.40
▸ KCNQ2 O43526 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ ALK Q9UM73 1/20 0.39
▸ PTGER4 P35408 1/20 0.39
▸ PTGER2 P43116 1/20 0.39
▸ ROCK2 O75116 2/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ PRKACA P17612 1/20 0.38
▸ PRKACG P22612 1/20 0.38
▸ PRKACB P22694 1/20 0.38
▸ AKT1 P31749 1/20 0.38
▸ ROCK1 Q13464 1/20 0.38
▸ PRKG1 Q13976 1/20 0.38

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
SCHEMBL6202727 1.00 ACACB (0.41) ACACBACACATDP1KCNQ2CYP3A4
SCHEMBL6202724 1.00 ACACB (0.41) ACACBACACATDP1KCNQ2CYP3A4
SCHEMBL6203797 0.94 ACACB (0.41) ACACBACACATDP1ALKROCK2
SCHEMBL6270040 0.94 ACACB (0.41) ACACBACACATDP1ALKROCK2
SCHEMBL6270035 0.94 ACACB (0.41) ACACBACACATDP1ALKROCK2
SCHEMBL6270039 0.94 ACACB (0.41) ACACBACACATDP1ALKROCK2
SCHEMBL6203105 0.93 TDP1 (0.41) ACACBACACATDP1ROCK2CYP2C9
SCHEMBL6246012 0.93 TDP1 (0.41) ACACBACACATDP1ROCK2CYP2C9
SCHEMBL6203102 0.93 TDP1 (0.41) ACACBACACATDP1ROCK2CYP2C9
SCHEMBL6203109 0.93 TDP1 (0.41) ACACBACACATDP1ROCK2CYP2C9

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 8 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 claimed
US-6900210-B2 Pyridinyl, pyrimidinyl and pyrazinyl amides as potassium channel openers BRISTOL-MYERS SQUIBB COMPANY (US) 2005-05-31 — — US claimed
WO-2004047739-A2 PYRIDINYL, PYRIMIDINYL AND PYRAZINYL AMIDES AS POTASSIUM CHANNEL OPENERS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-06-10 — — WO claimed
US-20040102449-A1 Pyridinyl, pyrimidinyl and pyrazinyl amides as potassium channel openers BRISTOL-MYERS SQUIBB COMPANY 2004-05-27 — — US claimed
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 2448/4885TDP1 4075/4885

“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.

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