SCHEMBL25004508

SCHEMBL25004508

CC(C)[C@H]1C[C@@H]1c1ncc2cnn(CC(F)(F)F)c2c1F

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 1/20 0.33
▸ HTR2C P28335 1/20 0.33
▸ HTR2B P41595 1/20 0.33
▸ MAPK1 P28482 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
SCHEMBL25005243 0.85 KCNJ6 (0.34) HTR2AHTR2CHTR2B
SCHEMBL23994575 0.85 KCNJ6 (0.34) HTR2AHTR2CHTR2B
SCHEMBL25005245 0.82 LRRK2 (0.31) —
SCHEMBL25004509 0.82 HTR2A (0.40) HTR2AHTR2CHTR2BMAPK1
SCHEMBL25004506 0.81 MAPK1 (0.31) MAPK1
SCHEMBL23994572 0.77 NT5E (0.34) HTR2AHTR2CMAPK1
SCHEMBL23993628 0.77 NT5E (0.34) HTR2AHTR2CMAPK1
SCHEMBL25004876 0.75 PDE2A (0.32) —
SCHEMBL30224845 0.75 — —
SCHEMBL23994565 0.74 HTR2A (0.33) HTR2AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230039553-A1 CD73 COMPOUNDS GILEAD SCIENCES, INC. 2023-02-09 — — US 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 HTR2A 1593/4885HTR2C 1699/4885HTR2B 2352/4885

“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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