SCHEMBL26857044

SCHEMBL26857044

Nc1nc2ccc(-c3csc(C(=O)NCc4cc(F)cc(F)c4)c3)cn2n1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MMP12 P39900 2/20 0.42
▸ PIK3CG P48736 5/20 0.40
▸ PIK3CD O00329 4/20 0.40
▸ ROCK2 O75116 1/20 0.40
▸ ROCK1 Q13464 1/20 0.40
▸ AURKA O14965 1/20 0.38
▸ MAPK1 P28482 8/20 0.38
▸ MET P08581 1/20 0.38
▸ PIK3CA P42336 4/20 0.37
▸ PIK3CB P42338 2/20 0.37
▸ ULK1 O75385 1/20 0.37
▸ TTK P33981 1/20 0.36

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
SCHEMBL26857017 0.92 MAPK1 (0.46) MMP12PIK3CGPIK3CDROCK2ROCK1
SCHEMBL26857000 0.89 MAPK1 (0.46) MMP12MAPK1MET
SCHEMBL26856882 0.88 MMP12 (0.53) MMP12PIK3CGPIK3CDROCK2ROCK1
SCHEMBL26857050 0.86 MMP12 (0.47) MMP12PIK3CGPIK3CDMAPK1PIK3CA
SCHEMBL26857153 0.86 MMP12 (0.42) MMP12PIK3CGPIK3CDMAPK1PIK3CA
SCHEMBL26857078 0.86 ROCK1 (0.42) MMP12PIK3CGPIK3CDROCK1MAPK1
SCHEMBL26857043 0.86 ADORA2A (0.40) MMP12PIK3CGPIK3CDMAPK1PIK3CA
SCHEMBL26857165 0.85 MMP12 (0.41) MMP12PIK3CGPIK3CDMAPK1PIK3CA
SCHEMBL26856987 0.84 PIK3CG (0.46) MMP12PIK3CGPIK3CDROCK2ROCK1
SCHEMBL26857148 0.84 MARK3 (0.46) MMP12PIK3CGPIK3CDPIK3CAPIK3CB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230382904-A1 SUBSTITUTED 4-([1,2,4]TRIAZOLO[1,5-a]PYRIDIN-6-YL)THIOPHENE-2-CARBOXAMIDE DERIVATIVES AND USE THEREOF BAYER AKTIENGESELLSCHAFT (DE) 2023-11-30 — — US disclosed
US-20230382904-A1 SUBSTITUTED 4-([1,2,4]TRIAZOLO[1,5-a]PYRIDIN-6-YL)THIOPHENE-2-CARBOXAMIDE DERIVATIVES AND USE THEREOF BAYER AKTIENGESELLSCHAFT (DE) 2023-11-30 — — 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-20230382904-A1 SUBSTITUTED 4-([1,2,4]TRIAZOLO[1,5-a]PYRIDIN-6-YL)THIOPHENE-2-CARBOXAMIDE DERIVATIVES AND USE THEREOF SNCA, PSEN2, PARK7 MMP12 4866/4885PIK3CG 690/4885PIK3CD 1085/4885

“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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