SCHEMBL5224427

SCHEMBL5224427

C[C@H](NC(=O)c1ccccc1)c1cccc(-c2cccnc2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 10/20 0.57
▸ ROCK1 Q13464 8/20 0.57
▸ PRKG1 Q13976 4/20 0.57
▸ RPS6KA5 O75582 3/20 0.57
▸ CDK1 P06493 3/20 0.57
▸ PRKACA P17612 3/20 0.57
▸ RPS6KB1 P23443 3/20 0.57
▸ CDK2 P24941 3/20 0.57
▸ MAPK1 P28482 3/20 0.57
▸ GSK3A P49840 3/20 0.57
▸ GSK3B P49841 3/20 0.57
▸ PRKX P51817 3/20 0.57
▸ PRKCD Q05655 3/20 0.57
▸ PRKG2 Q13237 3/20 0.57
▸ PKN2 Q16513 3/20 0.57
▸ CDC42BPA Q5VT25 3/20 0.57
▸ CLK4 Q9HAZ1 3/20 0.57
▸ SGK2 Q9HBY8 3/20 0.57
▸ MAP4K4 O95819 2/20 0.57
▸ AKT1 P31749 2/20 0.57

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
SCHEMBL5214941 1.00 ROCK2 (0.57) ROCK2ROCK1PRKG1RPS6KA5CDK1
SCHEMBL12191087 0.85 ROCK2 (0.57) ROCK2ROCK1PRKG1RPS6KA5CDK1
SCHEMBL12191029 0.85 ROCK2 (0.57) ROCK2ROCK1PRKG1RPS6KA5CDK1
SCHEMBL5888532 0.85 ALDH1A1 (0.50) ROCK2ROCK1PRKG1RPS6KA5CDK1
SCHEMBL5888537 0.85 ALDH1A1 (0.50) ROCK2ROCK1PRKG1RPS6KA5CDK1
SCHEMBL14880128 0.83 ROCK2 (0.63) ROCK2ROCK1PRKG1RPS6KA5CDK1
SCHEMBL10822708 0.83 ROCK2 (0.63) ROCK2ROCK1PRKG1RPS6KA5CDK1
SCHEMBL5888653 0.81 CTSL (0.52) CTSLCTSSKMOALDH1A1CTSK
SCHEMBL5888488 0.81 CTSL (0.49) CTSLCTSSKMOALDH1A1CYP3A4
SCHEMBL5888650 0.81 CTSL (0.52) CTSLCTSSKMOALDH1A1CTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7135472-B2 3-Heterocyclic benzylamide derivatives as potassium channel openers BRISTOL-MYERS SQUIBB COMPANY (US) 2006-11-14 — — US claimed
US-20040106621-A1 3-Heterocyclic benzylamide derivatives as potassium channel openers BRISTOL-MYERS SQUIBB COMPANY 2004-06-03 — — US claimed
EP-4580679-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS AND NMDA RECEPTOR ANTAGONISTS Biohaven Therapeutics Ltd. (VG) 2025-07-09 — — EP disclosed
WO-2024054807-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS AND TDP-43 MODULATORS BIOHAVEN THERAPEUTICS LTD. (VG) 2024-03-14 — — WO disclosed
WO-2024050389-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS AND NMDA RECEPTOR ANTAGONISTS BIOHAVEN THERAPEUTICS LTD. (VG) 2024-03-07 — — WO disclosed
EP-1581516-A4 3-HETEROCYCLIC BENZYLAMIDE DERIVATIVES AS POTASSIUM CHANNEL OPENERS BRISTOL MYERS SQUIBB CO (US) 2007-10-17 — — EP disclosed
US-7135472-B2 3-Heterocyclic benzylamide derivatives as potassium channel openers BRISTOL-MYERS SQUIBB COMPANY (US) 2006-11-14 — — US disclosed
EP-1581516-A2 3-HETEROCYCLIC BENZYLAMIDE DERIVATIVES AS POTASSIUM CHANNEL OPENERS Bristol-Myers Squibb Company (US) 2005-10-05 — — EP disclosed
WO-2004047744-A2 3-HETEROCYCLIC BENZYLAMIDE DERIVATIVES AS POTASSIUM CHANNEL OPENERS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-06-10 — — WO disclosed
US-20040106621-A1 3-Heterocyclic benzylamide derivatives as potassium channel openers BRISTOL-MYERS SQUIBB COMPANY 2004-06-03 — — 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-20040106621-A1 3-Heterocyclic benzylamide derivatives as potassium channel openers KCNQ3, KCNQ5, KCNQ2 ROCK2 3051/4885ROCK1 2861/4885PRKG1 2373/4885

“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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