SCHEMBL16063281

SCHEMBL16063281

COP(=O)(COC(C)Cn1cnc2c(N)ncnc21)OCc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 15/20 0.63
FAP Q12884 2/20 0.59
CYP2D6 P10635 14/20 0.55

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
SCHEMBL16063273 0.89 CYP3A4 (0.71) CYP3A4FAPCYP2D6
SCHEMBL20460806 0.89 CYP3A4 (0.71) CYP3A4FAPCYP2D6
SCHEMBL16066010 0.88 CYP3A4 (0.50) CYP3A4FAPCYP2D6
SCHEMBL15070860 0.87 CYP3A4 (0.77) CYP3A4FAPCYP2D6
SCHEMBL19508638 0.87 CYP3A4 (0.65) CYP3A4FAPCYP2D6
SCHEMBL20644398 0.86 CYP3A4 (0.55) CYP3A4FAPCYP2D6
SCHEMBL20324454 0.85 CYP3A4 (0.56) CYP3A4FAPCYP2D6
SCHEMBL16020768 0.85 CYP3A4 (0.67) CYP3A4FAPCYP2D6
SCHEMBL16062941 0.85 CYP3A4 (0.67) CYP3A4FAPCYP2D6
SCHEMBL19470299 0.84 CYP3A4 (0.71) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170304330-A1 ACYCLIC NUCLEOSIDE PHOSPHONATE DIESTERS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2017-10-26 US disclosed
US-8835630-B1 Acyclic nucleoside phosphonate diesters THE REGENTS OF THE UNIVERSITY OF CALIFORNIA, A CALIFORNIA CORPORATION (US) 2014-09-16 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-20170304330-A1 ACYCLIC NUCLEOSIDE PHOSPHONATE DIESTERS NTPCR, PNP, TYMP CYP3A4 3422/4885FAP 787/4885CYP2D6 3086/4885

“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.