SCHEMBL6203536

SCHEMBL6203536

CC(NC(=O)C=Cc1ccc(F)cc1)c1cccc(Oc2ccncc2)c1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.49
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
CYP3A4 P08684 4/20 0.48
KCNQ2 O43526 2/20 0.48
LMNA P02545 1/20 0.47
ROCK1 Q13464 4/20 0.44
ROCK2 O75116 3/20 0.44
PRKG1 Q13976 3/20 0.44
MAPK1 P28482 3/20 0.44
CYP2C9 P11712 3/20 0.44
RPS6KA5 O75582 2/20 0.44
PRKCG P05129 2/20 0.44
CDK1 P06493 2/20 0.44
PRKACA P17612 2/20 0.44
RPS6KB1 P23443 2/20 0.44
CDK2 P24941 2/20 0.44
AKT2 P31751 2/20 0.44
GSK3A P49840 2/20 0.44
GSK3B P49841 2/20 0.44

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
SCHEMBL6203531 1.00 TDP1 (0.49) TDP1MEN1KMT2ACYP3A4KCNQ2
SCHEMBL6200008 1.00 TDP1 (0.49) TDP1MEN1KMT2ACYP3A4KCNQ2
SCHEMBL6203533 1.00 TDP1 (0.49) TDP1MEN1KMT2ACYP3A4KCNQ2
SCHEMBL6485431 0.92 TDP1 (0.46) TDP1CYP3A4LMNAROCK1ROCK2
SCHEMBL6485420 0.92 TDP1 (0.46) TDP1CYP3A4LMNAROCK1ROCK2
SCHEMBL6485417 0.92 TDP1 (0.46) TDP1CYP3A4LMNAROCK1ROCK2
SCHEMBL6203363 0.92 TDP1 (0.46) TDP1CYP3A4LMNAROCK1ROCK2
SCHEMBL6204160 0.91 TDP1 (0.48) TDP1MEN1KMT2ACYP3A4KCNQ2
SCHEMBL6221619 0.91 TDP1 (0.48) TDP1MEN1KMT2ACYP3A4KCNQ2
SCHEMBL6221611 0.91 TDP1 (0.48) TDP1MEN1KMT2ACYP3A4KCNQ2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6900210-B2 Pyridinyl, pyrimidinyl and pyrazinyl amides as potassium channel openers BRISTOL-MYERS SQUIBB COMPANY (US) 2005-05-31 US 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 TDP1 4075/4885MEN1 1209/4885KMT2A 353/4885

“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.