SCHEMBL30277756

SCHEMBL30277756

O=C(NCc1ccc(Cl)cc1Cl)c1cc(-c2ccncc2)nnc1Cl

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CASP1 P29466 7/20 1.00
▸ ROCK2 O75116 1/20 0.55
▸ ROCK1 Q13464 1/20 0.55
▸ TSHR P16473 1/20 0.54
▸ TAAR1 Q96RJ0 1/20 0.48
▸ EPHX2 P34913 3/20 0.46
▸ LMNA P02545 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ NLRP1 Q9C000 1/20 0.46
▸ GSK3B P49841 1/20 0.44
▸ CYP2C9 P11712 2/20 0.44
▸ CYP2J2 P51589 1/20 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
SCHEMBL5899792 1.00 CASP1 (1.00) CASP1ROCK2ROCK1TSHRTAAR1
SCHEMBL30277741 0.86 CASP1 (0.75) CASP1ROCK2ROCK1TSHRTAAR1
SCHEMBL5899679 0.84 CASP1 (0.72) CASP1TSHREPHX2LMNAMAPK1
SCHEMBL4856266 0.81 CASP1 (0.69) CASP1ROCK2ROCK1TSHRTAAR1
SCHEMBL7219067 0.78 CASP1 (0.64) CASP1TSHREPHX2LMNAMAPK1
SCHEMBL4852979 0.72 CASP1 (0.57) CASP1TSHREPHX2LMNAGSK3B
SCHEMBL31683857 0.72 CASP1 (0.57) CASP1LMNA
SCHEMBL28646625 0.72 CASP1 (0.57) CASP1LMNA
SCHEMBL4851138 0.72 GSK3B (0.58) CASP1ROCK2ROCK1TAAR1GSK3B
SCHEMBL5899672 0.72 CASP1 (0.74) CASP1

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-12414565-B2 Pyridazine (THIO)amides as fungicidal compounds BAYER AKTIENGESELLSCHAFT (DE) 2025-09-16 — — US disclosed
EP-3887362-B1 PYRIDAZINE (THIO)AMIDES AS FUNGICIDAL COMPOUNDS BAYER AG (DE) 2025-06-18 — — EP disclosed
US-20230054449-A1 PYRIDAZINE (THIO)AMIDES AS FUNGICIDAL COMPOUNDS BAYER AKTIENGESELLSCHAFT (DE) 2023-02-23 — — 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 (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-12414565-B2 Pyridazine (THIO)amides as fungicidal compounds PNPO, TPMT, BLVRB CASP1 218/4885ROCK2 3779/4885ROCK1 3181/4885
US-20230054449-A1 PYRIDAZINE (THIO)AMIDES AS FUNGICIDAL COMPOUNDS PNPO, TPMT, BLVRB CASP1 183/4885ROCK2 4200/4885ROCK1 4693/4885

“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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