SCHEMBL6672910

SCHEMBL6672910

CC(NC(=O)C=Cc1ccccc1F)c1cccc(-c2ccncc2)c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.45
▸ ROCK1 Q13464 6/20 0.45
▸ ROCK2 O75116 5/20 0.45
▸ PRKG1 Q13976 4/20 0.45
▸ RPS6KA5 O75582 3/20 0.45
▸ CDK1 P06493 3/20 0.45
▸ PRKACA P17612 3/20 0.45
▸ RPS6KB1 P23443 3/20 0.45
▸ CDK2 P24941 3/20 0.45
▸ MAPK1 P28482 3/20 0.45
▸ GSK3A P49840 3/20 0.45
▸ GSK3B P49841 3/20 0.45
▸ PRKX P51817 3/20 0.45
▸ PRKCD Q05655 3/20 0.45
▸ PRKG2 Q13237 3/20 0.45
▸ PKN2 Q16513 3/20 0.45
▸ CDC42BPA Q5VT25 3/20 0.45
▸ CLK4 Q9HAZ1 3/20 0.45
▸ SGK2 Q9HBY8 3/20 0.45
▸ MAP4K4 O95819 2/20 0.45

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
SCHEMBL6627566 1.00 TDP1 (0.45) TDP1ROCK1ROCK2PRKG1RPS6KA5
SCHEMBL6856474 1.00 TDP1 (0.45) TDP1ROCK1ROCK2PRKG1RPS6KA5
SCHEMBL6856470 1.00 TDP1 (0.45) TDP1ROCK1ROCK2PRKG1RPS6KA5
SCHEMBL30795208 1.00 TDP1 (0.45) TDP1ROCK1ROCK2PRKG1RPS6KA5
SCHEMBL6672903 1.00 TDP1 (0.45) TDP1ROCK1ROCK2PRKG1RPS6KA5
SCHEMBL30824689 0.90 TDP1 (0.44) TDP1
SCHEMBL6670256 0.90 TDP1 (0.44) TDP1
SCHEMBL6670253 0.90 TDP1 (0.44) TDP1
SCHEMBL6670254 0.90 TDP1 (0.44) TDP1
SCHEMBL6671799 0.88 TDP1 (0.44) TDP1CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6831080-B2 E.g., 3-(2-fluorophenyl)-N-(1-(3-morpholin-4-yl)phenyl)-propyl)acrylamide; disorders responsive to opening of KCNQ potassium channels; analgesics; migraine, bipolar disorders, anticonvulsants, antiepileptic, anxiolytic agents BRISTOL-MYERS SQUIBB COMPANY 2004-12-14 — — US claimed
US-20030166650-A1 Cinnamide derivatives as KCNQ potassium channel modulators BRISTOL-MYERS SQUIBB COMPANY 2003-09-04 — — US claimed
WO-2024050389-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS AND NMDA RECEPTOR ANTAGONISTS BIOHAVEN THERAPEUTICS LTD. (VG) 2024-03-07 — — WO disclosed
US-6831080-B2 E.g., 3-(2-fluorophenyl)-N-(1-(3-morpholin-4-yl)phenyl)-propyl)acrylamide; disorders responsive to opening of KCNQ potassium channels; analgesics; migraine, bipolar disorders, anticonvulsants, antiepileptic, anxiolytic agents BRISTOL-MYERS SQUIBB COMPANY 2004-12-14 — — US disclosed
EP-1392644-A1 CINNAMIDE DERIVATIVES AS KCNQ POTASSIUM CHANNEL MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-03-03 — — EP disclosed
US-20030166650-A1 Cinnamide derivatives as KCNQ potassium channel modulators BRISTOL-MYERS SQUIBB COMPANY 2003-09-04 — — US disclosed
WO-2002096858-A1 CINNAMIDE DERIVATIVES AS KCNQ POTASSIUM CHANNEL MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2002-12-05 — — WO 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-20030166650-A1 Cinnamide derivatives as KCNQ potassium channel modulators KCNH2, KCNH3, KCNQ1 TDP1 4537/4885ROCK1 4213/4885ROCK2 4274/4885

“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.

Send feedback