SCHEMBL25884663

SCHEMBL25884663

Nc1ncnc2c1ccn2-c1ccc(CNC(=O)c2noc(Cc3ccccc3)n2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCD O00767 1/20 0.43
▸ PRSS1 P07477 3/20 0.41
▸ PRSS2 P07478 3/20 0.41
▸ PRSS3 P35030 3/20 0.41
▸ TPSAB1 Q15661 3/20 0.41
▸ METTL3 Q86U44 4/20 0.39
▸ RIPK1 Q13546 3/20 0.39
▸ ROCK1 Q13464 1/20 0.38
▸ KLKB1 P03952 1/20 0.37
▸ KLK1 P06870 1/20 0.37
▸ EGFR P00533 2/20 0.37
▸ FBP1 P09467 1/20 0.37
▸ ABL1 P00519 1/20 0.37
▸ CDK1 P06493 1/20 0.37
▸ SRC P12931 1/20 0.37
▸ CSK P41240 1/20 0.37
▸ ABL2 P42684 1/20 0.37
▸ BTK Q06187 1/20 0.37
▸ RET P07949 1/20 0.37
▸ KDR P35968 1/20 0.37

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
SCHEMBL25883667 0.88 ABL1 (0.40) SCDPRSS1PRSS2PRSS3TPSAB1
SCHEMBL25310332 0.84 KLKB1 (0.52) SCDMETTL3RIPK1KLKB1RET
SCHEMBL30504872 0.84 KLKB1 (0.52) SCDMETTL3RIPK1KLKB1RET
SCHEMBL25883694 0.83 SMN1; SMN2 (0.48) METTL3RIPK1RETMMP13
SCHEMBL29484995 0.80 KLKB1 (0.49) METTL3RIPK1ROCK1KLKB1KLK1
SCHEMBL25883660 0.80 KLKB1 (0.49) METTL3RIPK1ROCK1KLKB1KLK1
SCHEMBL25882817 0.79 MMP13 (0.43) EGFRFBP1ABL1CDK1SRC
SCHEMBL29484997 0.78 NR3C1 (0.46) METTL3ROCK1KLKB1KLK1EGFR
SCHEMBL25309990 0.78 NR3C1 (0.46) METTL3ROCK1KLKB1KLK1EGFR
SCHEMBL25312468 0.78 MKNK2 (0.46) METTL3EGFRABL1CDK1SRC

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 SCD 1870/4885PRSS1 578/4885PRSS2 1556/4885

“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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