SCHEMBL25883117

SCHEMBL25883117

Cn1nc(C(=O)NCc2ccc(-n3ccc4c(N)ncnc43)cc2)cc1Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP13 P45452 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ METTL3 Q86U44 3/20 0.40
▸ RET P07949 2/20 0.40
▸ KDR P35968 1/20 0.40
▸ CACNA1G O43497 1/20 0.39
▸ CACNA1H O95180 1/20 0.39
▸ DHODH Q02127 2/20 0.39
▸ KLKB1 P03952 2/20 0.39
▸ KLK1 P06870 2/20 0.39
▸ MIF P14174 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ RIPK1 Q13546 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ PKM P14618 1/20 0.38
▸ ADORA2A P29274 1/20 0.38
▸ ABL1 P00519 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
SCHEMBL29484999 1.00 MMP13 (0.43) MMP13L3MBTL1METTL3RETKDR
SCHEMBL26583106 0.90 MMP13 (0.41) MMP13METTL3RETKDRCACNA1G
SCHEMBL25310897 0.87 PI4KA (0.47) MMP13L3MBTL1RETKDRCACNA1G
SCHEMBL25884881 0.87 ROCK1 (0.46) MMP13L3MBTL1CACNA1GCACNA1HDHODH
SCHEMBL25883803 0.86 MAPK14 (0.51) L3MBTL1CACNA1GCACNA1HDHODHMEN1
SCHEMBL25883694 0.82 SMN1; SMN2 (0.48) MMP13METTL3RETRIPK1ALDH1A1
SCHEMBL29484997 0.81 NR3C1 (0.46) METTL3KLKB1KLK1HPGDALDH1A1
SCHEMBL25309990 0.81 NR3C1 (0.46) METTL3KLKB1KLK1HPGDALDH1A1
SCHEMBL26583169 0.79 CCR1 (0.44) L3MBTL1CACNA1GCACNA1HDHODHKLKB1
SCHEMBL30504872 0.78 KLKB1 (0.52) METTL3RETKDRKLKB1RIPK1

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 4 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

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 MMP13 1478/4885L3MBTL1 3331/4885METTL3 4564/4885

“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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