SCHEMBL25309990

SCHEMBL25309990

Cn1ncc(C(=O)NCc2ccc(-n3ccc4c(N)ncnc43)cc2)c1Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR3C1 P04150 1/20 0.46
▸ MAPK11 Q15759 2/20 0.43
▸ MAPK14 Q16539 2/20 0.43
▸ HPGD P15428 2/20 0.42
▸ LMNA P02545 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ KLKB1 P03952 1/20 0.40
▸ KLK1 P06870 1/20 0.40
▸ ROCK1 Q13464 1/20 0.40
▸ METTL3 Q86U44 3/20 0.39
▸ USP2 O75604 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ EGFR P00533 3/20 0.39
▸ HTT P42858 1/20 0.38
▸ PDPK1 O15530 1/20 0.38
▸ PRKCZ Q05513 1/20 0.38
▸ MARK2 Q7KZI7 1/20 0.38
▸ JAK2 O60674 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
SCHEMBL29484997 1.00 NR3C1 (0.46) NR3C1MAPK11MAPK14HPGDLMNA
SCHEMBL25884002 0.88 XDH (0.51) NR3C1MAPK11MAPK14HPGDLMNA
SCHEMBL26583111 0.87 PI4KA (0.47) NR3C1MAPK11MAPK14HPGDLMNA
SCHEMBL25883117 0.81 MMP13 (0.43) HPGDALDH1A1KLKB1KLK1METTL3
SCHEMBL29484999 0.81 MMP13 (0.43) HPGDALDH1A1KLKB1KLK1METTL3
SCHEMBL25883179 0.81 MAPK14 (0.46) NR3C1MAPK11MAPK14HPGDLMNA
SCHEMBL25883779 0.80 NR3C1 (0.35) NR3C1HPGDLMNAALDH1A1KDM4E
SCHEMBL29484995 0.79 KLKB1 (0.49) MAPK11MAPK14KLKB1KLK1ROCK1
SCHEMBL25883660 0.79 KLKB1 (0.49) MAPK11MAPK14KLKB1KLK1ROCK1
SCHEMBL25884993 0.79 KLKB1 (0.44) NR3C1MAPK11MAPK14HPGDLMNA

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 7 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
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 NR3C1 1690/4885MAPK11 76/4885MAPK14 148/4885

“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