SCHEMBL26857068

SCHEMBL26857068

COc1cc(CNC(=O)c2cc(-c3ccc4nc(N)nn4c3)cs2)ccn1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 7/20 0.45
▸ TRPA1 O75762 1/20 0.42
▸ EPHX2 P34913 5/20 0.40
▸ CDK2 P24941 1/20 0.40
▸ GSK3B P49841 1/20 0.40
▸ SLC40A1 Q9NP59 1/20 0.39
▸ MMP12 P39900 1/20 0.38
▸ CLK1 P49759 1/20 0.37
▸ IKBKE Q14164 1/20 0.36
▸ AURKB Q96GD4 1/20 0.36
▸ TBK1 Q9UHD2 1/20 0.36
▸ PIK3CD O00329 1/20 0.36
▸ PIK3CG P48736 1/20 0.36
▸ MMP13 P45452 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
SCHEMBL26856967 0.87 PIK3CD (0.46) MAPK1MMP12PIK3CDPIK3CG
SCHEMBL26857078 0.86 ROCK1 (0.42) MAPK1MMP12CLK1IKBKEAURKB
SCHEMBL26856971 0.86 MAPK1 (0.47) MAPK1MMP12CLK1IKBKEAURKB
SCHEMBL26857124 0.86 MMP12 (0.39) MMP12IKBKEAURKBTBK1PIK3CD
SCHEMBL26857116 0.85 ADORA2A (0.41) MAPK1MMP12CLK1IKBKEAURKB
SCHEMBL26856914 0.85 MAPK1 (0.49) MAPK1GSK3BCLK1PIK3CGMMP13
SCHEMBL26857065 0.85 MAPK1 (0.46) MAPK1MMP12MMP13
SCHEMBL26857114 0.84 ADORA2A (0.44) MAPK1MMP12IKBKEAURKBTBK1
SCHEMBL26856951 0.84 ADORA2A (0.43) MAPK1MMP12PIK3CDPIK3CGMMP13
SCHEMBL26856882 0.83 MMP12 (0.53) MAPK1GSK3BMMP12CLK1PIK3CD

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 MAPK1 3172/4885TRPA1 1112/4885EPHX2 3652/4885

“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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