SCHEMBL23994589

SCHEMBL23994589

O=c1[nH]cc(-c2cc(N3CCCCCC3)c3nccn3n2)c(=O)[nH]1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.48
▸ KDM4C Q9H3R0 1/20 0.48
▸ NT5E P21589 2/20 0.37
▸ ROCK2 O75116 1/20 0.36
▸ ROCK1 Q13464 1/20 0.36
▸ CDC42BPB Q9Y5S2 1/20 0.36
▸ RAF1 P04049 12/20 0.35
▸ BRAF P15056 12/20 0.35
▸ SYK P43405 3/20 0.35
▸ SMPD3 Q9NY59 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
SCHEMBL23993785 1.00 MAPT (0.48) MAPTKDM4CNT5EROCK2ROCK1
SCHEMBL23993609 0.99 MAPT (0.46) MAPTKDM4CNT5EROCK2ROCK1
SCHEMBL23993525 0.89 RAF1 (0.45) RAF1BRAF
SCHEMBL23993743 0.87 NT5E (0.37) MAPTKDM4CNT5ERAF1BRAF
SCHEMBL23993637 0.87 SYK (0.39) MAPTKDM4CNT5ERAF1BRAF
SCHEMBL23995118 0.87 NT5E (0.39) MAPTKDM4CNT5ERAF1BRAF
SCHEMBL23993880 0.86 NT5E (0.34) MAPTKDM4CNT5EROCK2ROCK1
SCHEMBL23993031 0.86 NT5E (0.34) MAPTKDM4CNT5EROCK2ROCK1
SCHEMBL23995111 0.86 NT5E (0.35) MAPTKDM4CNT5ERAF1BRAF
SCHEMBL23994359 0.86 NT5E (0.35) MAPTKDM4CNT5EROCK2ROCK1

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 MAPT 4826/4885KDM4C 1056/4885NT5E 3/4885
US-12110294-B2 CD73 compounds ENTPD5, ENTPD1, NT5E MAPT 4849/4885KDM4C 1332/4885NT5E 3/4885

“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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