SCHEMBL16039557

SCHEMBL16039557

COC(OC(C)Cn1cnc(N)c2ncnc1-2)P(=O)(O)O

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 13/20 0.45
▸ CYP2D6 P10635 13/20 0.36
▸ FGFR1 P11362 1/20 0.35
▸ SLC22A6 Q4U2R8 1/20 0.35
▸ FAP Q12884 1/20 0.34

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
SCHEMBL16039876 1.00 CYP3A4 (0.45) CYP3A4CYP2D6FGFR1SLC22A6FAP
SCHEMBL16038118 0.86 CYP3A4 (0.47) CYP3A4CYP2D6FGFR1SLC22A6FAP
SCHEMBL19064885 0.86 CYP3A4 (0.47) CYP3A4CYP2D6FGFR1SLC22A6FAP
SCHEMBL16038063 0.85 CYP3A4 (0.46) CYP3A4CYP2D6FGFR1SLC22A6FAP
SCHEMBL16037421 0.85 CYP3A4 (0.46) CYP3A4CYP2D6FGFR1SLC22A6FAP
SCHEMBL28115671 0.74 ADORA2A (0.56) CYP3A4
SCHEMBL28350467 0.70 FGFR1 (0.64) CYP3A4FGFR1SLC22A6FAP
SCHEMBL13997084 0.69 ADORA2A (0.43) —
SCHEMBL8713742 0.68 FGFR1 (0.46) CYP3A4FGFR1SLC22A6
SCHEMBL28025689 0.68 ALDH1A1 (0.46) CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10195222-B2 Acyclic nucleoside phosphonate diesters THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2019-02-05 — — US disclosed
US-10076532-B2 Acyclic nucleoside phosphonate diesters THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-09-18 — — US disclosed
US-20180064737-A1 ACYCLIC NUCLEOSIDE PHOSPHONATE DIESTERS UNIV CALIFORNIA (US) 2018-03-08 — — US disclosed
US-20170304330-A1 ACYCLIC NUCLEOSIDE PHOSPHONATE DIESTERS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2017-10-26 — — US disclosed
US-20170189430-A1 ACYCLIC NUCLEOSIDE PHOSPHONATE DIESTERS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2017-07-06 — — US disclosed
US-9629860-B2 Acyclic nucleoside phosphonate diesters THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-04-25 — — US disclosed
US-20140274959-A1 ACYCLIC NUCLEOSIDE PHOSPHONATE DIESTERS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA, A CALIFORNIA CORPORATION (US) 2014-09-18 — — 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 (6 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-20180064737-A1 ACYCLIC NUCLEOSIDE PHOSPHONATE DIESTERS NTPCR, PNP, TYMP CYP3A4 3422/4885CYP2D6 3086/4885FGFR1 3394/4885
US-20170189430-A1 ACYCLIC NUCLEOSIDE PHOSPHONATE DIESTERS NTPCR, PNP, TYMP CYP3A4 3422/4885CYP2D6 3086/4885FGFR1 3394/4885
US-20140274959-A1 ACYCLIC NUCLEOSIDE PHOSPHONATE DIESTERS NTPCR, PNP, TYMP CYP3A4 3422/4885CYP2D6 3086/4885FGFR1 3394/4885
US-10195222-B2 Acyclic nucleoside phosphonate diesters NTPCR, PNP, TYMP CYP3A4 3422/4885CYP2D6 3086/4885FGFR1 3394/4885
US-10076532-B2 Acyclic nucleoside phosphonate diesters NTPCR, PNP, TYMP CYP3A4 3422/4885CYP2D6 3086/4885FGFR1 3394/4885
US-20170304330-A1 ACYCLIC NUCLEOSIDE PHOSPHONATE DIESTERS NTPCR, PNP, TYMP CYP3A4 3422/4885CYP2D6 3086/4885FGFR1 3394/4885

“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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