SCHEMBL25005774

SCHEMBL25005774

COc1ncc(-c2cc(C3C[C@@H]3c3ccc(F)c(C(F)(F)F)c3)c3nccn3n2)c(OC)n1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PSEN1 P49768 1/20 0.35
▸ PSEN2 P49810 1/20 0.35
▸ APH1B Q8WW43 1/20 0.35
▸ NCSTN Q92542 1/20 0.35
▸ APH1A Q96BI3 1/20 0.35
▸ PSENEN Q9NZ42 1/20 0.35
▸ MDM2 Q00987 12/20 0.34
▸ RAF1 P04049 2/20 0.34
▸ SYK P43405 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ METAP2 P50579 1/20 0.32
▸ TP53 P04637 2/20 0.32
▸ F2RL3 Q96RI0 1/20 0.32
▸ WDR5 P61964 1/20 0.32
▸ RXRA P19793 1/20 0.31
▸ GRIN1 Q05586 1/20 0.31
▸ GRIN2B Q13224 1/20 0.31

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
SCHEMBL30181758 1.00 PSEN1 (0.35) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL23994035 1.00 PSEN1 (0.35) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL23994026 0.93 PSEN1 (0.35) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL30181554 0.93 PSEN1 (0.35) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL25005478 0.93 PSEN1 (0.35) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL25005477 0.93 PSEN1 (0.35) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL23991723 0.92 RAF1 (0.34) MDM2RAF1SYKCYP1A2METAP2
SCHEMBL25004553 0.89 RAF1 (0.38) MDM2RAF1TP53
SCHEMBL30224378 0.89 RAF1 (0.38) MDM2RAF1TP53
SCHEMBL23994023 0.88 MDM2 (0.41) MDM2TP53

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-20230039553-A1 CD73 COMPOUNDS GILEAD SCIENCES, INC. 2023-02-09 — — 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-20230039553-A1 CD73 COMPOUNDS ENTPD5, ENTPD1, NT5E PSEN1 3037/4885PSEN2 2631/4885APH1B 3317/4885

“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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