SCHEMBL25660355

SCHEMBL25660355

COc1ccnc(CNC(=O)c2cn(Cc3ccc(Cn4cc(C)ccc4=O)c(F)c3)nc2C2COC2)c1F

nearest known ligand 0.62

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 20/20 0.62
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2C8 P10632 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41

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
SCHEMBL24863526 0.94 KLKB1 (0.64) KLKB1
SCHEMBL24863590 0.86 KLKB1 (0.75) KLKB1
SCHEMBL24863398 0.85 KLKB1 (0.52) KLKB1
SCHEMBL25659916 0.85 KLKB1 (0.70) KLKB1CYP3A4CYP2C8CYP2C9
SCHEMBL24863503 0.83 KLKB1 (0.64) KLKB1CYP3A4CYP2C8CYP2C9
SCHEMBL24863299 0.83 KLKB1 (0.88) KLKB1CYP3A4CYP2C8CYP2C9
SCHEMBL25660296 0.83 KLKB1 (0.69) KLKB1
SCHEMBL25659918 0.82 KLKB1 (0.60) KLKB1CYP3A4CYP2C8CYP2C9
SCHEMBL26852333 0.81 KLKB1 (0.56) KLKB1CYP3A4CYP2C8CYP2C9
SCHEMBL25660016 0.81 KLKB1 (0.41) KLKB1

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-20230167098-A1 HETEROCYCLIC COMPOUND MEDSHINE DISCOVERY INC. (CN) 2023-06-01 — — 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-20230167098-A1 HETEROCYCLIC COMPOUND CYP11B2, CYP4F11, CYP11B1 KLKB1 1724/4885CYP3A4 15/4885CYP2C8 7/4885

“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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