SCHEMBL23993490

SCHEMBL23993490

O=c1[nH]cc(-c2cc(NCc3ccccc3)c3nccn3n2)c(=O)[nH]1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ TAAR1 Q96RJ0 1/20 0.40
▸ CDC7 O00311 2/20 0.40
▸ DBF4 Q9UBU7 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ SYK P43405 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ JAK2 O60674 2/20 0.38
▸ JAK3 P52333 2/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.36
▸ CDK2 P24941 2/20 0.36
▸ PLK4 O00444 1/20 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
SCHEMBL23994321 0.91 MEN1 (0.54) KDM4EMEN1MAPTKMT2ATAAR1
SCHEMBL23995083 0.89 KDM4E (0.47) KDM4EMEN1MAPTKMT2ATAAR1
SCHEMBL23994843 0.87 NT5E (0.35) KDM4EMEN1MAPTKMT2ATAAR1
SCHEMBL23995204 0.84 NT5E (0.42) KDM4EMEN1MAPTKMT2ATAAR1
SCHEMBL23994610 0.84 NT5E (0.40) MEN1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL23995504 0.84 NT5E (0.40) MEN1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL23993092 0.84 NT5E (0.34) MEN1MAPTKMT2ACYP1A2CYP3A4
SCHEMBL23994331 0.84 SYK (0.35) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL23994664 0.83 NT5E (0.37) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL23993650 0.83 DPYD (0.42) ALDH1A1CDK2METNT5ECCNE1

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-12110294-B2 CD73 compounds GILEAD SCIENCES, INC. (US) 2024-10-08 — — US 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 KDM4E 944/4885MEN1 3132/4885MAPT 4826/4885
US-12110294-B2 CD73 compounds ENTPD5, ENTPD1, NT5E KDM4E 1125/4885MEN1 3362/4885MAPT 4849/4885

“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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