SCHEMBL23995393

SCHEMBL23995393

C[C@H](CNc1cc(-c2c[nH]c(=O)[nH]c2=O)nn2ccnc12)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 5/20 0.40
▸ KMT2A Q03164 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ SYK P43405 10/20 0.38
▸ 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
▸ ALDH1A1 P00352 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ POLB P06746 1/20 0.33

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
SCHEMBL23995504 1.00 NT5E (0.40) NT5EKMT2AMEN1SYKCYP1A2
SCHEMBL23994610 1.00 NT5E (0.40) NT5EKMT2AMEN1SYKCYP1A2
SCHEMBL23995205 0.89 NT5E (0.42) NT5EKMT2AMEN1SYKCYP1A2
SCHEMBL23995204 0.89 NT5E (0.42) NT5EKMT2AMEN1SYKCYP1A2
SCHEMBL23994694 0.88 NT5E (0.40) NT5EKMT2AMEN1SYKCYP1A2
SCHEMBL23993490 0.84 KDM4E (0.40) NT5EKMT2AMEN1SYKCYP1A2
SCHEMBL23994664 0.84 NT5E (0.37) NT5ESYKCYP1A2CYP3A4CYP2D6
SCHEMBL23993079 0.82 NT5E (0.42) NT5EKMT2AMEN1ALDH1A1
SCHEMBL23994321 0.82 MEN1 (0.54) NT5EKMT2AMEN1SYKCYP1A2
SCHEMBL23994331 0.81 SYK (0.35) NT5ESYKCYP1A2CYP3A4CYP2D6

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 NT5E 3/4885KMT2A 2253/4885MEN1 3132/4885
US-12110294-B2 CD73 compounds ENTPD5, ENTPD1, NT5E NT5E 3/4885KMT2A 2581/4885MEN1 3362/4885

“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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