SCHEMBL25312468

SCHEMBL25312468

Nc1ncnc2c1ccn2-c1ccc(CNC(=O)O)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MKNK2 Q9HBH9 1/20 0.46
▸ METTL3 Q86U44 8/20 0.44
▸ ABL1 P00519 2/20 0.43
▸ EGFR P00533 2/20 0.43
▸ CDK1 P06493 2/20 0.43
▸ SRC P12931 2/20 0.43
▸ ABL2 P42684 2/20 0.43
▸ CSK P41240 1/20 0.43
▸ XDH P47989 2/20 0.41
▸ KDR P35968 1/20 0.40
▸ PIP4K2A P48426 2/20 0.40
▸ PIK3CG P48736 2/20 0.40
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ CA4 P22748 1/20 0.40
▸ CA9 Q16790 1/20 0.40
▸ MEN1 O00255 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38

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
SCHEMBL25882485 0.83 L3MBTL1 (0.44) MKNK2METTL3XDHCA1CA2
SCHEMBL29484983 0.83 L3MBTL1 (0.44) MKNK2METTL3XDHCA1CA2
SCHEMBL25883691 0.82 METTL3 (0.52) MKNK2METTL3ABL1EGFRCDK1
SCHEMBL25313276 0.81 PI4KA (0.59) EGFRCA1CA2CA4CA9
SCHEMBL30504872 0.81 KLKB1 (0.52) METTL3KDR
SCHEMBL25310332 0.81 KLKB1 (0.52) METTL3KDR
SCHEMBL25882514 0.80 MKNK2 (0.49) MKNK2METTL3ABL1EGFRCDK1
SCHEMBL25882543 0.80 METTL3 (0.40) MKNK2METTL3ABL1EGFRSRC
SCHEMBL25882817 0.79 MMP13 (0.43) ABL1EGFRCDK1SRCABL2
SCHEMBL29484995 0.78 KLKB1 (0.49) METTL3ABL1EGFRCDK1SRC

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-20230331707-A1 PROGRAMMED CELL NECROSIS INHIBITOR, PREPARATION METHOD THEREFOR, AND USE THEREOF SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY, CHINESE ACADEMY OF SCIENCES (CN) 2023-10-19 — — US disclosed
EP-4215532-A1 PROGRAMMED CELL NECROSIS INHIBITOR, PREPARATION METHOD THEREFOR, AND USE THEREOF Shanghai Institute of Organic Chemistry, Chinese Academy of Sciences (CN) 2023-07-26 — — EP 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-20230331707-A1 PROGRAMMED CELL NECROSIS INHIBITOR, PREPARATION METHOD THEREFOR, AND USE THEREOF RIPK1, RIPK4, RIPK3 MKNK2 565/4885METTL3 4564/4885ABL1 4290/4885

“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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