SCHEMBL23995196

SCHEMBL23995196

O=c1[nH]cc(-c2cc(N3CCC(C4CC4)C3)c3nccn3n2)c(=O)[nH]1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 2/20 0.36
▸ RAF1 P04049 16/20 0.33
▸ BRAF P15056 16/20 0.33
▸ IP6K1 Q92551 1/20 0.33
▸ IP6K3 Q96PC2 1/20 0.33
▸ IP6K2 Q9UHH9 1/20 0.33
▸ PIK3R1 P27986 1/20 0.31
▸ PIK3CA P42336 1/20 0.31
▸ MTOR P42345 1/20 0.31

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
SCHEMBL23994834 0.94 NT5E (0.38) NT5ERAF1BRAF
SCHEMBL23994833 0.94 NT5E (0.38) NT5ERAF1BRAF
SCHEMBL23995425 0.93 NT5E (0.37) NT5ERAF1BRAF
SCHEMBL23993089 0.91 NT5E (0.36) NT5ERAF1BRAF
SCHEMBL23993292 0.90 NT5E (0.37) NT5ERAF1BRAFIP6K1IP6K3
SCHEMBL23994454 0.90 NT5E (0.37) NT5ERAF1BRAFIP6K1IP6K3
SCHEMBL25004243 0.89 NT5E (0.38) NT5ERAF1BRAF
SCHEMBL23994437 0.89 NT5E (0.38) NT5ERAF1BRAF
SCHEMBL23993788 0.89 NT5E (0.36) NT5E
SCHEMBL23994424 0.88 SYK (0.40) NT5ERAF1BRAFPIK3R1PIK3CA

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 3/4885RAF1 2499/4885BRAF 1019/4885
US-12110294-B2 CD73 compounds ENTPD5, ENTPD1, NT5E NT5E 3/4885RAF1 2556/4885BRAF 1298/4885

“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.

Send feedback