SCHEMBL23994606

SCHEMBL23994606

CC(C)(O)CCNc1cc(-c2c[nH]c(=O)[nH]c2=O)nn2ccnc12

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ NT5E P21589 4/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ TAAR1 Q96RJ0 1/20 0.31
▸ SYK P43405 7/20 0.31
▸ PRKD3 O94806 1/20 0.31
▸ MAP4K4 O95819 1/20 0.31
▸ PRKCG P05129 1/20 0.31
▸ EPHA2 P29317 1/20 0.31
▸ MAPK8 P45983 1/20 0.31
▸ MAPK9 P45984 1/20 0.31
▸ CSNK1A1 P48729 1/20 0.31
▸ CSNK1D P48730 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
SCHEMBL23994331 0.87 SYK (0.35) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL23994442 0.84 SYK (0.34) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL23993092 0.83 NT5E (0.34) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL23994694 0.82 NT5E (0.40) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL23994321 0.82 MEN1 (0.54) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL23994664 0.80 NT5E (0.37) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL23993490 0.80 KDM4E (0.40) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL23995083 0.80 KDM4E (0.47) KDM4EMEN1MAPTKMT2ATAAR1
SCHEMBL23995372 0.79 MEN1 (0.43) KDM4EMEN1MAPTKMT2ATAAR1
SCHEMBL23995391 0.79 MAPT (0.43) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19

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 CYP1A2 3166/4885CYP3A4 2786/4885CYP2D6 1872/4885
US-12110294-B2 CD73 compounds ENTPD5, ENTPD1, NT5E CYP1A2 2027/4885CYP3A4 2140/4885CYP2D6 970/4885

“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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