SCHEMBL30816626

SCHEMBL30816626

COc1ncncc1-c1nc(C)cc(C=O)n1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CYP17A1 P05093 2/20 0.38
▸ MDM2 Q00987 2/20 0.31
▸ PIK3CA P42336 2/20 0.31
▸ EGFR P00533 2/20 0.31
▸ PIK3CD O00329 1/20 0.30
▸ PIK3CB P42338 1/20 0.30
▸ PIK3CG P48736 1/20 0.30

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
SCHEMBL31521747 0.75 CYP17A1 (0.39) CYP17A1MDM2PIK3CAEGFRPIK3CD
SCHEMBL30816580 0.73 CYP17A1 (0.39) CYP17A1PIK3CAEGFRPIK3CDPIK3CB
SCHEMBL3522137 0.66 TDP1 (0.34) —
SCHEMBL29559729 0.66 ERN1 (0.41) CYP17A1EGFR
SCHEMBL3521853 0.66 ERN1 (0.41) CYP17A1EGFR
SCHEMBL30816561 0.65 ALDH1A1 (0.44) CYP17A1
SCHEMBL31521754 0.64 GAA (0.42) CYP17A1
SCHEMBL30816598 0.64 NNMT (0.45) CYP17A1
SCHEMBL31521740 0.64 MAPK1 (0.42) CYP17A1
SCHEMBL9761039 0.64 MAPT (0.34) PIK3CA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240092779-A1 USP1 INHIBITORS AND USES THEREOF ZENTAUR THERAPEUTICS USA INC. 2024-03-21 — — 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-20240092779-A1 USP1 INHIBITORS AND USES THEREOF USP1, USP28, USP2 CYP17A1 1682/4885MDM2 64/4885PIK3CA 3100/4885

“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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