SCHEMBL25406671

SCHEMBL25406671

O=C(NC(CO)c1ccccc1)c1ccncc1Br

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 8/20 0.57
▸ MAPK1 P28482 7/20 0.57
▸ ROCK1 Q13464 4/20 0.57
▸ PRKACA P17612 2/20 0.57
▸ GSK3A P49840 2/20 0.57
▸ GSK3B P49841 2/20 0.57
▸ PRKX P51817 2/20 0.57
▸ CLK4 Q9HAZ1 2/20 0.57
▸ MAPK13 O15264 1/20 0.57
▸ RPS6KA5 O75582 1/20 0.57
▸ MAP4K4 O95819 1/20 0.57
▸ PAK4 O96013 1/20 0.57
▸ PRKCG P05129 1/20 0.57
▸ CDK1 P06493 1/20 0.57
▸ RPS6KB1 P23443 1/20 0.57
▸ CDK2 P24941 1/20 0.57
▸ AKT1 P31749 1/20 0.57
▸ AKT2 P31751 1/20 0.57
▸ CLK2 P49760 1/20 0.57
▸ IRAK1 P51617 1/20 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
SCHEMBL25405435 0.85 MAPK1 (0.59) ROCK2MAPK1ROCK1PRKACAGSK3A
SCHEMBL30341563 0.85 MAPK1 (0.59) ROCK2MAPK1ROCK1PRKACAGSK3A
SCHEMBL25407128 0.84 ROCK2 (0.57) ROCK2MAPK1ROCK1PRKACAGSK3A
SCHEMBL28015856 0.83 ALDH1A1 (0.60) ROCK2MAPK1ROCK1PRKACAGSK3A
SCHEMBL25406458 0.78 MAPK1 (0.48) ROCK2MAPK1ROCK1PRKACAGSK3A
SCHEMBL25405503 0.77 ROCK1 (0.59) ROCK2MAPK1ROCK1PRKACAGSK3A
SCHEMBL25405796 0.75 KDM4E (0.51) ROCK2MAPK1ROCK1PRKACAGSK3A
SCHEMBL25406342 0.75 CYP1A2 (0.45) ROCK2MAPK1ROCK1PRKACAGSK3A
SCHEMBL25405587 0.74 ROCK1 (0.59) ROCK2MAPK1ROCK1PRKACAGSK3A
SCHEMBL25406737 0.74 MAPK1 (0.51) ROCK2MAPK1ROCK1PRKACAGSK3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12534456-B2 Heterocyclyl pyridines as novel fungicides BAYER AKTIENGESELLSCHAFT (DE) 2026-01-27 — — US disclosed
US-20230295138-A1 HETEROCYCLYL PYRIDINES AS NOVEL FUNGICIDES BAYER AKTIENGESELLSCHAFT (DE) 2023-09-21 — — US disclosed
EP-4161914-A1 HETEROCYCLYL PYRIDINES AS NOVEL FUNGICIDES Bayer Aktiengesellschaft (DE) 2023-04-12 — — EP 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 (2 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-20230295138-A1 HETEROCYCLYL PYRIDINES AS NOVEL FUNGICIDES PNPO, CBR3, HPD ROCK2 2871/4885MAPK1 1340/4885ROCK1 3123/4885
US-12534456-B2 Heterocyclyl pyridines as novel fungicides CBR1, CBR3, NOX1 ROCK2 3738/4885MAPK1 855/4885ROCK1 3287/4885

“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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