SCHEMBL23995384

SCHEMBL23995384

CC(C)[C@H]1C[C@@H]1c1ccc2cnn(CC(F)(F)F)c2n1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CYP17A1 P05093 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ MAPK1 P28482 1/20 0.31
▸ PDE2A O00408 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
SCHEMBL23994571 0.85 KCNJ6 (0.39) CYP17A1CYP1A2PDE2A
SCHEMBL25004868 0.81 PDE10A (0.33) CYP17A1CYP1A2MAPK1PDE2A
SCHEMBL23995229 0.79 PDE10A (0.32) —
SCHEMBL25589575 0.79 KCNJ6 (0.34) CYP17A1CYP1A2MAPK1PDE2A
SCHEMBL23994564 0.77 HTR2A (0.39) MAPK1
SCHEMBL25270071 0.77 FFAR1 (0.35) MAPK1
SCHEMBL25004509 0.77 HTR2A (0.40) MAPK1
SCHEMBL23993628 0.77 NT5E (0.34) MAPK1
SCHEMBL23994572 0.77 NT5E (0.34) MAPK1
SCHEMBL25590352 0.77 FFAR1 (0.35) MAPK1

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 CYP17A1 4392/4885CYP1A2 3166/4885MAPK1 4411/4885

“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