SCHEMBL23994331

SCHEMBL23994331

CC(C)(C)CNc1cc(-c2c[nH]c(=O)[nH]c2=O)nn2ccnc12

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 11/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ NT5E P21589 5/20 0.34
▸ ALDH1A1 P00352 1/20 0.32
▸ BTK Q06187 1/20 0.31
▸ RAF1 P04049 1/20 0.31
▸ BRAF P15056 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
SCHEMBL23993092 0.89 NT5E (0.34) SYKCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL23994606 0.87 CYP1A2 (0.33) SYKCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL23994694 0.86 NT5E (0.40) SYKCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL23994442 0.85 SYK (0.34) SYKCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL23994664 0.84 NT5E (0.37) SYKCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL23993490 0.84 KDM4E (0.40) SYKCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL23994843 0.84 NT5E (0.35) SYKCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL23995402 0.82 NT5E (0.35) NT5EALDH1A1
SCHEMBL23994321 0.82 MEN1 (0.54) SYKCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL23995504 0.81 NT5E (0.40) SYKCYP1A2CYP3A4CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12110294-B2 CD73 compounds GILEAD SCIENCES, INC. (US) 2024-10-08 — — US disclosed
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 (2 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 2578/4885CYP1A2 3166/4885CYP3A4 2786/4885
US-12110294-B2 CD73 compounds ENTPD5, ENTPD1, NT5E SYK 2691/4885CYP1A2 2027/4885CYP3A4 2140/4885

“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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