SCHEMBL26583106

SCHEMBL26583106

CCn1nc(C(=O)NCc2ccc(-n3ccc4c(N)ncnc43)cc2)cc1Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP13 P45452 1/20 0.41
▸ METTL3 Q86U44 3/20 0.39
▸ EGFR P00533 3/20 0.39
▸ ABL1 P00519 1/20 0.39
▸ CDK1 P06493 1/20 0.39
▸ SRC P12931 1/20 0.39
▸ CSK P41240 1/20 0.39
▸ ABL2 P42684 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ RET P07949 2/20 0.39
▸ KDR P35968 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ USP2 O75604 1/20 0.39
▸ DHODH Q02127 2/20 0.38
▸ CACNA1G O43497 1/20 0.38
▸ CACNA1H O95180 1/20 0.38
▸ BTK Q06187 2/20 0.38
▸ MIF P14174 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ HPGD P15428 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
SCHEMBL25883117 0.90 MMP13 (0.43) MMP13METTL3EGFRABL1CDK1
SCHEMBL29484999 0.90 MMP13 (0.43) MMP13METTL3EGFRABL1CDK1
SCHEMBL25883720 0.88 PI4KA (0.45) MMP13EGFRABL1CDK1SRC
SCHEMBL25883694 0.81 SMN1; SMN2 (0.48) MMP13METTL3RET
SCHEMBL25310897 0.77 PI4KA (0.47) MMP13EGFRMAPTRETKDR
SCHEMBL25884881 0.77 ROCK1 (0.46) MMP13DHODHCACNA1GCACNA1H
SCHEMBL25883803 0.77 MAPK14 (0.51) EGFRMAPTKDM4EDHODHCACNA1G
SCHEMBL30504872 0.77 KLKB1 (0.52) METTL3RETKDR
SCHEMBL25310332 0.77 KLKB1 (0.52) METTL3RETKDR
SCHEMBL29484997 0.76 NR3C1 (0.46) METTL3EGFRKDM4EUSP2BTK

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
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

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 1478/4885METTL3 4564/4885EGFR 1988/4885

“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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