SCHEMBL23994843

SCHEMBL23994843

O=c1[nH]cc(-c2cc(NCC(F)(F)c3ccccc3)c3nccn3n2)c(=O)[nH]1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 2/20 0.35
▸ SYK P43405 6/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ TAAR1 Q96RJ0 1/20 0.35
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ EPHB4 P54760 1/20 0.33
▸ CDK2 P24941 2/20 0.33
▸ CCNE1 P24864 1/20 0.33
▸ CDC7 O00311 2/20 0.32
▸ ROCK2 O75116 1/20 0.32
▸ MAP4K4 O95819 1/20 0.32
▸ PIM1 P11309 1/20 0.32

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 0.88 NT5E (0.34) NT5ESYKALDH1A1MEN1MAPT
SCHEMBL23993490 0.87 KDM4E (0.40) NT5ESYKALDH1A1KDM4EMEN1
SCHEMBL23995084 0.85 MEN1 (0.44) ALDH1A1KDM4EMEN1MAPTKMT2A
SCHEMBL30224471 0.85 MEN1 (0.44) ALDH1A1KDM4EMEN1MAPTKMT2A
SCHEMBL23994321 0.85 MEN1 (0.54) NT5ESYKALDH1A1KDM4EMEN1
SCHEMBL23994331 0.84 SYK (0.35) NT5ESYKALDH1A1CYP1A2CYP3A4
SCHEMBL23995100 0.84 NT5E (0.38) NT5EALDH1A1CDK2CCNE1
SCHEMBL23995083 0.83 KDM4E (0.47) SYKALDH1A1KDM4EMEN1MAPT
SCHEMBL23995205 0.82 NT5E (0.42) NT5ESYKALDH1A1KDM4EMEN1
SCHEMBL23995204 0.82 NT5E (0.42) NT5ESYKALDH1A1KDM4EMEN1

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 NT5E 3/4885SYK 2578/4885ALDH1A1 347/4885

“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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