SCHEMBL23994402

SCHEMBL23994402

COc1ncc(-c2cc(N3CCC(C4CC4)C3)c3nccn3n2)c(OC)n1

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MTOR P42345 1/20 0.34
▸ SYK P43405 5/20 0.34
▸ ABL1 P00519 1/20 0.33
▸ RAF1 P04049 12/20 0.33
▸ BRAF P15056 12/20 0.33
▸ PPARD Q03181 1/20 0.33

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
SCHEMBL23995187 0.93 PPARD (0.34) MTORSYKABL1RAF1BRAF
SCHEMBL30224541 0.93 PPARD (0.34) MTORSYKABL1RAF1BRAF
SCHEMBL23994180 0.91 RAF1 (0.34) MTORSYKABL1RAF1BRAF
SCHEMBL23991683 0.90 MDM2 (0.34) MTORSYKABL1RAF1BRAF
SCHEMBL30224347 0.90 MDM2 (0.34) MTORSYKABL1RAF1BRAF
SCHEMBL23993991 0.90 SMPD3 (0.36) MTORSYKABL1RAF1BRAF
SCHEMBL30224218 0.88 RAF1 (0.35) MTORSYKABL1RAF1BRAF
SCHEMBL23993545 0.88 RAF1 (0.35) MTORSYKABL1RAF1BRAF
SCHEMBL23992928 0.86 SYK (0.37) MTORSYKABL1RAF1BRAF
SCHEMBL30224751 0.86 SYK (0.37) MTORSYKABL1RAF1BRAF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4143194-A1 CD73 INHIBITING 2,4-DIOXOPYRIMIDINE COMPOUNDS GILEAD SCIENCES, INC. (US) 2023-03-08 — — EP disclosed
US-20230039553-A1 CD73 COMPOUNDS GILEAD SCIENCES, INC. 2023-02-09 — — US disclosed
WO-2021222522-A1 CD73 INHIBITING 2,4-DIOXOPYRIMIDINE COMPOUNDS GILEAD SCIENCES, INC. (US) 2021-11-04 — — 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-20230039553-A1 CD73 COMPOUNDS ENTPD5, ENTPD1, NT5E MTOR 1667/4885SYK 2578/4885ABL1 1116/4885

“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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