SCHEMBL25590352

SCHEMBL25590352

O=C(O)C1CC1c1ccc2cnn(CC(F)(F)F)c2n1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 7/20 0.35
▸ CYP2C8 P10632 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ KCNJ6 P48051 3/20 0.32
▸ KCNJ5 P48544 3/20 0.32
▸ KCNJ3 P48549 3/20 0.32
▸ PIK3CA P42336 5/20 0.32
▸ MTOR P42345 5/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ RXRA P19793 2/20 0.32
▸ RXRB P28702 2/20 0.32
▸ RXRG P48443 2/20 0.32
▸ RARA P10276 1/20 0.32
▸ RARB P10826 1/20 0.32
▸ RARG P13631 1/20 0.32
▸ NAMPT P43490 1/20 0.32

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
SCHEMBL25270071 1.00 FFAR1 (0.35) FFAR1CYP2C8CYP2C9KCNJ6KCNJ5
SCHEMBL25589575 0.89 KCNJ6 (0.34) KCNJ6KCNJ5KCNJ3PIK3CAMTOR
SCHEMBL25590349 0.85 MAPT (0.35) KCNJ6KCNJ5KCNJ3PIK3CAMTOR
SCHEMBL30393922 0.85 MAPT (0.35) KCNJ6KCNJ5KCNJ3PIK3CAMTOR
SCHEMBL23994571 0.81 KCNJ6 (0.39) KCNJ6KCNJ5KCNJ3PIK3CAMTOR
SCHEMBL25589570 0.81 RIPK1 (0.31) —
SCHEMBL30393431 0.81 RIPK1 (0.31) —
SCHEMBL25590354 0.81 RIPK1 (0.31) —
SCHEMBL25004868 0.78 PDE10A (0.33) MAPK1
SCHEMBL23995384 0.77 CYP17A1 (0.33) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230183189-A1 CD73 COMPOUNDS GILEAD SCIENCES, INC. 2023-06-15 — — 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-20230183189-A1 CD73 COMPOUNDS ENTPD5, NT5E, ENTPD1 FFAR1 2266/4885CYP2C8 953/4885CYP2C9 935/4885

“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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