SCHEMBL25406342

SCHEMBL25406342

O=C(NC(CBr)c1ccccc1)c1ccncc1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ CYP2D6 P10635 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ ROCK2 O75116 5/20 0.44
▸ GSK3B P49841 4/20 0.44
▸ ROCK1 Q13464 4/20 0.44
▸ CLK4 Q9HAZ1 4/20 0.44
▸ RPS6KA5 O75582 3/20 0.44
▸ AKT1 P31749 3/20 0.44
▸ NEK4 P51957 3/20 0.44
▸ PRKCD Q05655 3/20 0.44
▸ PRKG2 Q13237 3/20 0.44
▸ PRKG1 Q13976 3/20 0.44
▸ PKN2 Q16513 3/20 0.44
▸ GSK3A P49840 3/20 0.44
▸ MAPK1 P28482 3/20 0.44
▸ MAPK13 O15264 2/20 0.44
▸ MAP4K4 O95819 2/20 0.44
▸ PRKCG P05129 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
SCHEMBL25408652 0.88 KDM4E (0.56) CYP1A2CYP3A4CYP2D6CYP2C9ROCK2
SCHEMBL25407128 0.88 ROCK2 (0.57) ROCK2GSK3BROCK1CLK4RPS6KA5
SCHEMBL25405587 0.86 ROCK1 (0.59) CYP1A2CYP3A4CYP2D6CYP2C9ROCK2
SCHEMBL25406458 0.85 MAPK1 (0.48) ROCK2GSK3BROCK1CLK4RPS6KA5
SCHEMBL25407321 0.80 ECE1 (0.49) CYP3A4ROCK2GSK3BROCK1CLK4
SCHEMBL25406671 0.75 ROCK2 (0.57) ROCK2GSK3BROCK1CLK4RPS6KA5
SCHEMBL25405796 0.74 KDM4E (0.51) ROCK2GSK3BROCK1CLK4RPS6KA5
SCHEMBL25405435 0.74 MAPK1 (0.59) ROCK2GSK3BROCK1CLK4RPS6KA5
SCHEMBL30341563 0.74 MAPK1 (0.59) ROCK2GSK3BROCK1CLK4RPS6KA5
SCHEMBL25406576 0.73 ROCK2 (0.60) CYP3A4ROCK2GSK3BROCK1CLK4

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 CYP1A2 100/4885CYP3A4 38/4885CYP2D6 241/4885
US-12534456-B2 Heterocyclyl pyridines as novel fungicides CBR1, CBR3, NOX1 CYP1A2 57/4885CYP3A4 210/4885CYP2D6 95/4885

“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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