SCHEMBL25313276

SCHEMBL25313276

Nc1ncnc2c1ncn2-c1ccc(CNC(=O)O)cc1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PI4KA P42356 10/20 0.59
▸ PI4K2B Q8TCG2 10/20 0.59
▸ PI4K2A Q9BTU6 10/20 0.59
▸ PI4KB Q9UBF8 10/20 0.59
▸ EGFR P00533 2/20 0.59
▸ CA1 P00915 2/20 0.52
▸ CA2 P00918 2/20 0.52
▸ CA4 P22748 2/20 0.52
▸ CA9 Q16790 2/20 0.52
▸ AHCY P23526 1/20 0.48
▸ PTK2 Q05397 1/20 0.46
▸ PTK2B Q14289 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ GSK3B P49841 1/20 0.43
▸ ADORA2A P29274 1/20 0.43
▸ MAPT P10636 1/20 0.43

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
SCHEMBL25882848 0.83 PI4KA (0.55) PI4KAPI4K2BPI4K2API4KBEGFR
SCHEMBL5111652 0.81 PI4KA (0.47) PI4KAPI4K2BPI4K2API4KBEGFR
SCHEMBL25312468 0.81 MKNK2 (0.46) EGFRCA1CA2CA4CA9
SCHEMBL25883906 0.80 KLKB1 (0.50) PI4KAPI4K2BPI4K2API4KBEGFR
SCHEMBL25883871 0.79 PI4KA (0.49) PI4KAPI4K2BPI4K2API4KBEGFR
SCHEMBL25883894 0.79 PI4KA (0.49) PI4KAPI4K2BPI4K2API4KBEGFR
SCHEMBL25884967 0.79 PI4KA (0.49) PI4KAPI4K2BPI4K2API4KBEGFR
SCHEMBL25884953 0.79 PI4KA (0.49) PI4KAPI4K2BPI4K2API4KBEGFR
SCHEMBL25310770 0.79 PI4KA (0.68) PI4KAPI4K2BPI4K2API4KBEGFR
SCHEMBL26583128 0.79 PI4KA (0.48) PI4KAPI4K2BPI4K2API4KBEGFR

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
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 PI4KA 628/4885PI4K2B 1222/4885PI4K2A 1234/4885

“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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