SCHEMBL25310332

SCHEMBL25310332

Nc1ncnc2c1ccn2-c1ccc(CNC(=O)c2n[nH]c(Cc3ccccc3)n2)cc1

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 3/20 0.52
▸ RIPK1 Q13546 13/20 0.46
▸ SCD O00767 1/20 0.43
▸ METTL3 Q86U44 1/20 0.40
▸ RET P07949 1/20 0.39
▸ KDR P35968 1/20 0.39

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
SCHEMBL30504872 1.00 KLKB1 (0.52) KLKB1RIPK1SCDMETTL3RET
SCHEMBL25884663 0.84 SCD (0.43) KLKB1RIPK1SCDMETTL3RET
SCHEMBL25312468 0.81 MKNK2 (0.46) METTL3KDR
SCHEMBL25882817 0.80 MMP13 (0.43) RETKDR
SCHEMBL29484995 0.79 KLKB1 (0.49) KLKB1RIPK1METTL3
SCHEMBL25883660 0.79 KLKB1 (0.49) KLKB1RIPK1METTL3
SCHEMBL25883694 0.79 SMN1; SMN2 (0.48) RIPK1METTL3RET
SCHEMBL25884695 0.79 METTL3 (0.34) KLKB1METTL3RETKDR
SCHEMBL25309990 0.78 NR3C1 (0.46) KLKB1METTL3
SCHEMBL29484999 0.78 MMP13 (0.43) KLKB1RIPK1METTL3RETKDR

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 6 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
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
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
CN-116234810-A Cell apoptosis inhibitor and preparation method and application thereof 中国科学院上海有机化学研究所 2023-06-06 — — CN disclosed
CN-114262322-A Apoptosis inhibitor and preparation method and application thereof 中国科学院上海有机化学研究所 2022-04-01 — — CN 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 KLKB1 1110/4885RIPK1 1/4885SCD 1870/4885

“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.

Send feedback