SCHEMBL23994708

SCHEMBL23994708

COc1ncc(-c2cc(C3CC3)c3nc(-c4ccccc4)cn3n2)c(OC)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARD Q03181 1/20 0.38
▸ ALDH1A1 P00352 3/20 0.37
▸ CYP1A2 P05177 2/20 0.37
▸ HSD17B10 Q99714 2/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ ACP1 P24666 1/20 0.37
▸ PTGES2 Q9H7Z7 1/20 0.37
▸ F2RL3 Q96RI0 2/20 0.37
▸ PDE10A Q9Y233 2/20 0.36
▸ PDE4D Q08499 1/20 0.36
▸ QPCT Q16769 1/20 0.36
▸ QPCTL Q9NXS2 1/20 0.36
▸ MEN1 O00255 3/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ MAPT P10636 2/20 0.36
▸ TSHR P16473 1/20 0.36
▸ ATM Q13315 1/20 0.36
▸ NPC1 O15118 2/20 0.36

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
SCHEMBL23994707 1.00 PPARD (0.38) PPARDALDH1A1CYP1A2HSD17B10CYP3A4
SCHEMBL23994018 0.92 PPARD (0.37) PPARDACP1F2RL3PDE4DQPCT
SCHEMBL30224235 0.92 PPARD (0.37) PPARDACP1F2RL3PDE4DQPCT
SCHEMBL23994831 0.91 PPARD (0.37) PPARDALDH1A1CYP1A2HSD17B10CYP3A4
SCHEMBL30181987 0.91 PPARD (0.37) PPARDALDH1A1CYP1A2HSD17B10CYP3A4
SCHEMBL30181563 0.89 AKT1 (0.36) PPARDACP1QPCTQPCTLNPC1
SCHEMBL23993478 0.89 AKT1 (0.36) PPARDACP1QPCTQPCTLNPC1
SCHEMBL23994710 0.87 MTOR (0.38) PPARDALDH1A1CYP1A2HSD17B10CYP3A4
SCHEMBL23992885 0.86 MTOR (0.38) PPARDALDH1A1CYP1A2HSD17B10CYP3A4
SCHEMBL30224155 0.86 MTOR (0.38) PPARDALDH1A1CYP1A2HSD17B10CYP3A4

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
US-20230039553-A1 CD73 COMPOUNDS GILEAD SCIENCES, INC. 2023-02-09 — — US disclosed
CN-115698009-A CD73 inhibiting 2,4-dioxopyrimidine compounds 吉利德科学公司 2023-02-03 — — CN 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 PPARD 2945/4885ALDH1A1 347/4885CYP1A2 3166/4885

“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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