SCHEMBL23992853

SCHEMBL23992853

COc1ncc(-c2cc(Cc3ccccc3)c3nccn3n2)c(OC)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 3/20 0.40
▸ FAAH O00519 1/20 0.38
▸ CES1 P23141 1/20 0.38
▸ CCR5 P51681 1/20 0.35
▸ CYP1A2 P05177 7/20 0.35
▸ CYP2C19 P33261 7/20 0.35
▸ CYP3A4 P08684 6/20 0.35
▸ TSHR P16473 5/20 0.35
▸ CYP2C9 P11712 5/20 0.35
▸ ALDH1A1 P00352 4/20 0.35
▸ USP2 O75604 4/20 0.35
▸ CYP2D6 P10635 3/20 0.35
▸ CLK4 Q9HAZ1 2/20 0.35
▸ CYP11B1 P15538 1/20 0.35
▸ CYP11B2 P19099 1/20 0.35
▸ QPCT Q16769 1/20 0.34
▸ QPCTL Q9NXS2 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ LMNA P02545 1/20 0.34

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
SCHEMBL23992878 0.89 SYK (0.38) SYKFAAHCES1CYP1A2CYP2C19
SCHEMBL23993949 0.85 SYK (0.38) SYKFAAHCES1ALDH1A1QPCT
SCHEMBL23994741 0.84 SYK (0.41) SYKFAAHCES1CYP1A2CYP2C19
SCHEMBL23993947 0.83 PTGES2 (0.41) SYKFAAHCES1ALDH1A1QPCT
SCHEMBL23992849 0.83 SYK (0.46) SYKACP1
SCHEMBL23993129 0.83 SYK (0.38) SYKFAAHCES1CYP1A2CYP2C19
SCHEMBL23994838 0.80 SYK (0.36) SYKFAAHCES1CYP1A2CYP2C19
SCHEMBL23994841 0.80 SYK (0.36) SYKFAAHCES1CYP1A2CYP2C19
SCHEMBL25004812 0.79 SYK (0.45) SYKQPCTQPCTLACP1PTGES2
SCHEMBL23994425 0.79 SYK (0.38) SYKCYP1A2QPCTQPCTLP2RX3

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 SYK 2578/4885FAAH 4134/4885CES1 1029/4885

“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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