SCHEMBL31683870

SCHEMBL31683870

O=C(N[C@@H](CO)c1ccccc1)c1cc(Cl)nnc1Cl

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TACR3 P29371 2/20 0.53
▸ ROCK2 O75116 3/20 0.49
▸ MAPK1 P28482 3/20 0.49
▸ PAK4 O96013 2/20 0.49
▸ MAPK13 O15264 1/20 0.49
▸ RPS6KA5 O75582 1/20 0.49
▸ MAP4K4 O95819 1/20 0.49
▸ PRKCG P05129 1/20 0.49
▸ CDK1 P06493 1/20 0.49
▸ PRKACA P17612 1/20 0.49
▸ RPS6KB1 P23443 1/20 0.49
▸ CDK2 P24941 1/20 0.49
▸ AKT1 P31749 1/20 0.49
▸ AKT2 P31751 1/20 0.49
▸ CLK2 P49760 1/20 0.49
▸ GSK3A P49840 1/20 0.49
▸ GSK3B P49841 1/20 0.49
▸ IRAK1 P51617 1/20 0.49
▸ RPS6KA3 P51812 1/20 0.49
▸ PRKX P51817 1/20 0.49

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
SCHEMBL28658687 1.00 TACR3 (0.53) TACR3ROCK2MAPK1PAK4MAPK13
SCHEMBL31683869 0.82 TACR3 (0.50) TACR3ALDH1A1RAB9AL3MBTL1KDM4E
SCHEMBL31683867 0.82 TACR3 (0.50) TACR3ALDH1A1RAB9AL3MBTL1KDM4E
SCHEMBL25406277 0.82 TACR3 (0.51) TACR3ROCK2MAPK1PAK4MAPK13
SCHEMBL30254951 0.82 TACR3 (0.51) TACR3ROCK2MAPK1PAK4MAPK13
SCHEMBL28664069 0.81 ROCK2 (0.52) ROCK2MAPK1RPS6KA5PRKACARPS6KB1
SCHEMBL31622393 0.81 ROCK2 (0.52) ROCK2MAPK1RPS6KA5PRKACARPS6KB1
SCHEMBL5643849 0.79 NPC1 (0.55) TACR3ROCK2MAPK1PAK4MAPK13
SCHEMBL25407128 0.75 ROCK2 (0.57) TACR3ROCK2MAPK1PAK4MAPK13
SCHEMBL30040770 0.74 TACR3 (0.64) TACR3ROCK2MAPK1PAK4MAPK13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12414565-B2 Pyridazine (THIO)amides as fungicidal compounds BAYER AKTIENGESELLSCHAFT (DE) 2025-09-16 — — 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-12414565-B2 Pyridazine (THIO)amides as fungicidal compounds PNPO, TPMT, BLVRB TACR3 196/4885ROCK2 3779/4885MAPK1 3000/4885

“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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