SCHEMBL25883906

SCHEMBL25883906

Nc1ncnc2c1ncn2-c1ccc(CNC(=O)c2cn(Cc3ccccc3)cn2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 8/20 0.50
▸ PI4KA P42356 5/20 0.50
▸ PI4K2B Q8TCG2 5/20 0.50
▸ PI4K2A Q9BTU6 5/20 0.50
▸ PI4KB Q9UBF8 5/20 0.50
▸ EGFR P00533 2/20 0.50
▸ ADORA2A P29274 2/20 0.45
▸ AHCY P23526 1/20 0.45
▸ USP30 Q70CQ3 1/20 0.43
▸ MMP13 P45452 1/20 0.42
▸ FBP1 P09467 1/20 0.42
▸ ABL1 P00519 1/20 0.42
▸ CDK1 P06493 1/20 0.42
▸ SRC P12931 1/20 0.42
▸ CSK P41240 1/20 0.42
▸ ABL2 P42684 1/20 0.42
▸ CA1 P00915 1/20 0.42
▸ CA2 P00918 1/20 0.42
▸ CA4 P22748 1/20 0.42
▸ CA9 Q16790 1/20 0.42

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
SCHEMBL25883871 0.81 PI4KA (0.49) PI4KAPI4K2BPI4K2API4KBEGFR
SCHEMBL25884967 0.81 PI4KA (0.49) PI4KAPI4K2BPI4K2API4KBEGFR
SCHEMBL25884953 0.81 PI4KA (0.49) PI4KAPI4K2BPI4K2API4KBEGFR
SCHEMBL26583128 0.80 PI4KA (0.48) PI4KAPI4K2BPI4K2API4KBEGFR
SCHEMBL25883917 0.80 PI4KA (0.48) PI4KAPI4K2BPI4K2API4KBEGFR
SCHEMBL25313276 0.80 PI4KA (0.59) PI4KAPI4K2BPI4K2API4KBEGFR
SCHEMBL25884896 0.80 PI4KA (0.47) PI4KAPI4K2BPI4K2API4KBEGFR
SCHEMBL25884915 0.79 PI4KA (0.47) PI4KAPI4K2BPI4K2API4KBEGFR
SCHEMBL25310897 0.79 PI4KA (0.47) PI4KAPI4K2BPI4K2API4KBEGFR
SCHEMBL25884148 0.78 PI4KA (0.46) 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 KLKB1 1110/4885PI4KA 628/4885PI4K2B 1222/4885

“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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