SCHEMBL23993767

SCHEMBL23993767

Cc1ccccc1[C@H]1C[C@@H]1c1cc(-c2c[nH]c(=O)[nH]c2=O)nn2ccnc12

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 8/20 0.45
▸ ALDH1A1 P00352 2/20 0.36
▸ SYK P43405 1/20 0.35
▸ CCNE1 P24864 2/20 0.34
▸ CDK2 P24941 2/20 0.34
▸ RAF1 P04049 2/20 0.34
▸ 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
▸ LMNA P02545 1/20 0.31
▸ PRCP P42785 1/20 0.30
▸ CCNE2 O96020 1/20 0.30
▸ TNKS2 Q9H2K2 1/20 0.30

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
SCHEMBL23994249 0.91 NT5E (0.43) NT5EALDH1A1SYKCCNE1CDK2
SCHEMBL23993668 0.89 NT5E (0.42) NT5EALDH1A1CCNE1CDK2LMNA
SCHEMBL23993703 0.89 NT5E (0.42) NT5EALDH1A1CCNE1CDK2LMNA
SCHEMBL25004844 0.89 NT5E (0.42) NT5EALDH1A1CCNE1CDK2LMNA
SCHEMBL23993727 0.88 NT5E (0.42) NT5EALDH1A1CCNE1CDK2RAF1
SCHEMBL23993879 0.88 NT5E (0.40) NT5EALDH1A1SYKCCNE1CDK2
SCHEMBL23995428 0.88 NT5E (0.42) NT5EALDH1A1CCNE1CDK2RAF1
SCHEMBL23993257 0.88 NT5E (0.42) NT5EALDH1A1CCNE1CDK2RAF1
SCHEMBL23995538 0.88 NT5E (0.40) NT5EALDH1A1CCNE1CDK2RAF1
SCHEMBL23995299 0.88 NT5E (0.40) NT5EALDH1A1SYKCCNE1CDK2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 3/4885ALDH1A1 347/4885SYK 2578/4885

“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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