SCHEMBL31362996

SCHEMBL31362996

OC(COc1cnc(Br)nc1)C(F)(F)F

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CETP P11597 2/20 0.34
▸ PSEN1 P49768 1/20 0.34
▸ PSEN2 P49810 1/20 0.34
▸ APH1B Q8WW43 1/20 0.34
▸ NCSTN Q92542 1/20 0.34
▸ APH1A Q96BI3 1/20 0.34
▸ PSENEN Q9NZ42 1/20 0.34
▸ SCN9A Q15858 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ CYP4F2 P78329 1/20 0.30
▸ CYP4A11 Q02928 1/20 0.30
▸ CFTR P13569 2/20 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
SCHEMBL24353025 0.69 PSEN1 (0.40) CETPPSEN1PSEN2APH1BNCSTN
SCHEMBL28601887 0.69 CETP (0.38) CETPPSEN1PSEN2APH1BNCSTN
SCHEMBL6527647 0.69 APP (0.45) CETPPSEN1PSEN2APH1BNCSTN
SCHEMBL24352244 0.69 USP2 (0.50) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL31362938 0.67 — —
SCHEMBL24352861 0.67 KMT2A (0.49) —
SCHEMBL10204660 0.67 ALDH1A1 (0.44) CETPPSEN1PSEN2APH1BNCSTN
SCHEMBL24352245 0.67 KMT2A (0.49) —
SCHEMBL21910786 0.67 CETP (0.41) CETPPSEN1PSEN2APH1BNCSTN
SCHEMBL22092382 0.66 TRPA1 (0.34) SCN9A

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-20250066328-A1 PARP7 INHIBITORS GILEAD SCIENCES, INC. 2025-02-27 — — US disclosed
WO-2025024663-A1 PARP7 INHIBITORS GILEAD SCIENCES, INC. (US) 2025-01-30 — — WO 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-20250066328-A1 PARP7 INHIBITORS PARP1, PARP2, PARP8 CETP 3381/4885PSEN1 3220/4885PSEN2 3546/4885

“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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