SCHEMBL24721999

SCHEMBL24721999

C[C@H](Cn1cnc2c(N)ncnc21)OCP(=O)(O)OCCCC(F)(F)CCCCCCCCCCCCCC#CC(F)(F)F

nearest known ligand 0.85

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 16/20 0.85
▸ CYP2D6 P10635 16/20 0.72

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
SCHEMBL29828149 1.00 CYP3A4 (0.85) CYP3A4CYP2D6
SCHEMBL23014812 0.95 CYP3A4 (0.94) CYP3A4CYP2D6
SCHEMBL23014811 0.95 CYP3A4 (0.94) CYP3A4CYP2D6
Ammonia Solution, Strong SCHEMBL29829008 0.94 CYP3A4 (0.94) CYP3A4CYP2D6
SCHEMBL29828338 0.92 CYP2D6 (0.85) CYP3A4CYP2D6
SCHEMBL23015010 0.92 CYP3A4 (1.00) CYP3A4CYP2D6
SCHEMBL23015006 0.92 CYP3A4 (1.00) CYP3A4CYP2D6
Ammonia Solution, Strong SCHEMBL29827830 0.91 CYP3A4 (1.00) CYP3A4CYP2D6
SCHEMBL24721997 0.91 CYP2D6 (0.85) CYP3A4CYP2D6
SCHEMBL29828106 0.91 CYP2D6 (0.85) CYP3A4CYP2D6

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-20220298185-A1 Nucleoside Prodrugs and Uses Related Thereto UNIV EMORY (US) 2022-09-22 — — 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-20220298185-A1 Nucleoside Prodrugs and Uses Related Thereto PNPO, GSTO1, CYP2C18 CYP3A4 17/4885CYP2D6 18/4885

“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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