SCHEMBL25887409

SCHEMBL25887409

CCS(=O)(=O)c1cc(-c2ccc(C3(C#N)CC3)cc2)cnc1-c1nc2cc(C(=O)C3CC3)cnc2n1C

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 17/20 0.39
▸ KCNH2 Q12809 1/20 0.37
▸ PIK3C2A O00443 1/20 0.35
▸ PIK3C2B O00750 1/20 0.35
▸ PIK3CA P42336 1/20 0.35
▸ MTOR P42345 1/20 0.35
▸ AXL P30530 1/20 0.34
▸ TYRO3 Q06418 1/20 0.34
▸ MERTK Q12866 1/20 0.34
▸ MAP4K1 Q92918 1/20 0.33
▸ ALDH2 P05091 1/20 0.32
▸ ALDH1A3 P47895 1/20 0.32

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
SCHEMBL31081542 0.92 ALDH1A1 (0.38) ALDH1A1KCNH2PIK3C2APIK3C2BPIK3CA
SCHEMBL25886049 0.84 ALDH1A1 (0.37) ALDH1A1KCNH2PIK3C2APIK3C2BPIK3CA
SCHEMBL31081648 0.84 ALDH1A1 (0.37) ALDH1A1KCNH2PIK3C2APIK3C2BPIK3CA
SCHEMBL30989762 0.84 PIK3C2A (0.35) ALDH1A1KCNH2PIK3C2APIK3C2BPIK3CA
SCHEMBL25886035 0.84 PIK3C2A (0.35) ALDH1A1KCNH2PIK3C2APIK3C2BPIK3CA
SCHEMBL25314138 0.83 ALDH1A1 (0.38) ALDH1A1KCNH2PIK3C2APIK3C2BPIK3CA
SCHEMBL25313262 0.83 ALDH1A1 (0.38) ALDH1A1KCNH2PIK3C2APIK3C2BPIK3CA
SCHEMBL31081644 0.82 ALDH1A1 (0.36) ALDH1A1KCNH2PIK3C2APIK3C2BPIK3CA
SCHEMBL25886064 0.82 ALDH1A1 (0.36) ALDH1A1KCNH2PIK3C2APIK3C2BPIK3CA
SCHEMBL25885735 0.82 ALDH1A1 (0.36) ALDH1A1KCNH2PIK3C2APIK3C2BPIK3CA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12435083-B2 Cyclopropyl-(hetero)aryl-substituted ethylsulphonyl-pyridine derivatives BOEHRINGER INGELHEIM VETMEDICA GMBH (DE) 2025-10-07 — — US disclosed
CN-118355004-A Cyclopropyl- (heteroaryl) -substituted ethylsulfonyl-pyridine derivatives 勃林格殷格翰动物保健有限公司 2024-07-16 — — CN disclosed
US-20230234951-A1 CYCLOPROPYL-(HETERO)ARYL-SUBSTITUTED ETHYLSULPHONYL-PYRIDINE DERIVATIVES BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2023-07-27 — — US disclosed
US-20230234951-A1 CYCLOPROPYL-(HETERO)ARYL-SUBSTITUTED ETHYLSULPHONYL-PYRIDINE DERIVATIVES BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2023-07-27 — — 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-20230234951-A1 CYCLOPROPYL-(HETERO)ARYL-SUBSTITUTED ETHYLSULPHONYL-PYRIDINE DERIVATIVES CYCS, CYP2E1, AHR ALDH1A1 637/4885KCNH2 1388/4885PIK3C2A 3437/4885
US-12435083-B2 Cyclopropyl-(hetero)aryl-substituted ethylsulphonyl-pyridine derivatives CYCS, CYP2E1, CYP1A1 ALDH1A1 512/4885KCNH2 1417/4885PIK3C2A 3512/4885

“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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