SCHEMBL23995199

SCHEMBL23995199

FC(F)(F)Cn1ncc2ncc(Br)cc21

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 19/20 0.43
GRIN2B Q13224 19/20 0.43
CYP17A1 P05093 1/20 0.34
CYP1A2 P05177 1/20 0.34

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
SCHEMBL30224406 0.78 GRIN1 (0.36) GRIN1GRIN2B
SCHEMBL17969325 0.78 HSD17B10 (0.39) GRIN1GRIN2B
SCHEMBL23994190 0.74 KMO (0.55) CYP17A1CYP1A2
SCHEMBL22775781 0.73 KMO (0.46) GRIN1GRIN2B
SCHEMBL30224777 0.73 CYP17A1 (0.36) CYP17A1CYP1A2
SCHEMBL23993406 0.73 CYP17A1 (0.36) CYP17A1CYP1A2
SCHEMBL23994569 0.73 KCNJ6 (0.34) GRIN1GRIN2B
SCHEMBL25282474 0.72 GRIN1 (0.41) GRIN1GRIN2BCYP17A1CYP1A2
SCHEMBL22771412 0.72 GRIN1 (0.37) GRIN1GRIN2B
SCHEMBL3605436 0.72 RAB9A (0.48) GRIN1GRIN2B

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 7 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
US-20240043427-A1 CD73 COMPOUNDS GILEAD SCIENCES, INC. 2024-02-08 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
CN-115698009-A CD73 inhibiting 2,4-dioxopyrimidine compounds 吉利德科学公司 2023-02-03 CN disclosed
WO-2021222522-A1 CD73 INHIBITING 2,4-DIOXOPYRIMIDINE COMPOUNDS GILEAD SCIENCES, INC. (US) 2021-11-04 WO 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 (3 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 GRIN1 3028/4885GRIN2B 3139/4885CYP17A1 4392/4885
US-20240043427-A1 CD73 COMPOUNDS ENTPD5, ENTPD1, NT5E GRIN1 3028/4885GRIN2B 3139/4885CYP17A1 4392/4885
US-12110294-B2 CD73 compounds ENTPD5, ENTPD1, NT5E GRIN1 2872/4885GRIN2B 2995/4885CYP17A1 3414/4885

“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.