SCHEMBL25884002

SCHEMBL25884002

Cn1ncc(C(=O)NCc2ccc(-n3ncc4c(N)ncnc43)cc2)c1Cc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ XDH P47989 5/20 0.51
▸ MAPK14 Q16539 5/20 0.49
▸ MAPK11 Q15759 4/20 0.49
▸ KDM4E B2RXH2 4/20 0.49
▸ HSD17B10 Q99714 3/20 0.49
▸ ALDH1A1 P00352 2/20 0.49
▸ TSHR P16473 2/20 0.49
▸ MEN1 O00255 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ EGFR P00533 1/20 0.49
▸ CYP1A2 P05177 1/20 0.49
▸ CYP2C19 P33261 1/20 0.49
▸ PI4KA P42356 1/20 0.49
▸ PI4K2B Q8TCG2 1/20 0.49
▸ PI4K2A Q9BTU6 1/20 0.49
▸ PI4KB Q9UBF8 1/20 0.49
▸ NR3C1 P04150 1/20 0.48
▸ HPGD P15428 1/20 0.48
▸ RAB9A P51151 2/20 0.45
▸ NPC1 O15118 1/20 0.45

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 0.88 NR3C1 (0.46) MAPK14MAPK11KDM4EALDH1A1TSHR
SCHEMBL25309990 0.88 NR3C1 (0.46) MAPK14MAPK11KDM4EALDH1A1TSHR
SCHEMBL26583111 0.84 PI4KA (0.47) MAPK14MAPK11KDM4EALDH1A1TSHR
SCHEMBL25883803 0.83 MAPK14 (0.51) XDHMAPK14MAPK11KDM4EHSD17B10
SCHEMBL13790295 0.78 KDM4E (0.76) XDHKDM4EHSD17B10ALDH1A1TSHR
SCHEMBL25884993 0.75 KLKB1 (0.44) MAPK14MAPK11KDM4EALDH1A1NR3C1
SCHEMBL26584425 0.75 BTK (0.64) MAPK14MAPK11NR3C1HPGDLMNA
SCHEMBL25884094 0.74 MAPK11 (0.56) MAPK14MAPK11KDM4EALDH1A1HPGD
SCHEMBL26583112 0.74 PI4KA (0.45) MAPK14MAPK11KDM4EALDH1A1TSHR
SCHEMBL13790296 0.74 XDH (0.65) XDHMAPK14KDM4EHSD17B10ALDH1A1

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 3 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

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 XDH 2870/4885MAPK14 148/4885MAPK11 76/4885

“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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