SCHEMBL30224633

SCHEMBL30224633

O=c1[nH]cc(-c2cc(OCC(F)(F)c3ccccn3)c3nccn3n2)c(=O)[nH]1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 6/20 0.40
▸ ALDH1A1 P00352 1/20 0.34
▸ CCNE1 P24864 2/20 0.32
▸ CDK2 P24941 2/20 0.32
▸ HCRTR2 O43614 1/20 0.30
▸ CCNE2 O96020 1/20 0.30
▸ PIK3CD O00329 1/20 0.30
▸ PIK3R2 O00459 1/20 0.30
▸ PIK3CG P48736 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
SCHEMBL23993081 1.00 NT5E (0.40) NT5EALDH1A1CCNE1CDK2HCRTR2
SCHEMBL23995100 0.90 NT5E (0.38) NT5EALDH1A1CCNE1CDK2HCRTR2
SCHEMBL30224491 0.86 NT5E (0.39) NT5EALDH1A1CCNE1CDK2HCRTR2
SCHEMBL23993104 0.86 NT5E (0.39) NT5EALDH1A1CCNE1CDK2HCRTR2
SCHEMBL23993096 0.85 HCRTR2 (0.35) NT5EALDH1A1HCRTR2PIK3CDPIK3R2
SCHEMBL23993100 0.84 NT5E (0.35) NT5EALDH1A1CCNE1CDK2HCRTR2
SCHEMBL23993087 0.84 NT5E (0.34) NT5EALDH1A1HCRTR2
SCHEMBL23993135 0.84 NT5E (0.36) NT5EALDH1A1HCRTR2
SCHEMBL23993088 0.83 NT5E (0.37) NT5EHCRTR2
SCHEMBL23995044 0.82 HCRTR2 (0.35) NT5EHCRTR2

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-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

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-12110294-B2 CD73 compounds ENTPD5, ENTPD1, NT5E NT5E 3/4885ALDH1A1 138/4885CCNE1 782/4885

“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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