SCHEMBL14669190

SCHEMBL14669190

COCC(Cn1cnc2c(N)nc(N)nc21)OCP(=O)(O)O

nearest known ligand 0.73

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.53
HPRT1 P00492 13/20 0.48
CDK1 P06493 1/20 0.47
CCNB1 P14635 1/20 0.47
CCNE1 P24864 1/20 0.47
CDK2 P24941 1/20 0.47
FGFR1 P11362 2/20 0.43
SLC22A6 Q4U2R8 2/20 0.43

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
SCHEMBL14669210 1.00 CYP3A4 (0.53) CYP3A4HPRT1CDK1CCNB1CCNE1
SCHEMBL14669198 1.00 CYP3A4 (0.53) CYP3A4HPRT1CDK1CCNB1CCNE1
SCHEMBL16131315 0.92 CDK1 (0.45) CYP3A4HPRT1CDK1CCNB1CCNE1
SCHEMBL14669075 0.92 CDK1 (0.45) CYP3A4HPRT1CDK1CCNB1CCNE1
SCHEMBL14669074 0.92 CDK1 (0.45) CYP3A4HPRT1CDK1CCNB1CCNE1
SCHEMBL29450587 0.90 HPRT1 (0.55) CYP3A4HPRT1CDK1CCNB1CCNE1
SCHEMBL172847 0.90 HPRT1 (0.55) CYP3A4HPRT1CDK1CCNB1CCNE1
SCHEMBL15516660 0.90 HPRT1 (0.55) CYP3A4HPRT1CDK1CCNB1CCNE1
SCHEMBL14665372 0.90 CYP2D6 (0.49) CYP3A4HPRT1CDK1CCNB1CCNE1
SCHEMBL14665371 0.90 CYP2D6 (0.49) CYP3A4HPRT1CDK1CCNB1CCNE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170096441-A1 PHOSPHONATES WITH REDUCED TOXICITY FOR TREATMENT OF VIRAL INFECTIONS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-04-06 US disclosed
US-9475832-B2 Phosphonates with reduced toxicity for treatment of viral infections THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-10-25 US disclosed
US-20150080344-A1 PHOSPHONATES WITH REDUCED TOXICITY FOR TREATMENT OF VIRAL INFECTIONS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA, A CALIFORNIA CORPORATION 2015-03-19 US disclosed
US-8846643-B2 Phosphonates with reduced toxicity for treatment of viral infections THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-09-30 US disclosed
US-20130029940-A1 PHOSPHONATES WITH REDUCED TOXICITY FOR TREATMENT OF VIRAL INFECTIONS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-01-31 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 (3 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-20170096441-A1 PHOSPHONATES WITH REDUCED TOXICITY FOR TREATMENT OF VIRAL INFECTIONS POLRMT, PNP, MTAP CYP3A4 1443/4885HPRT1 14/4885CDK1 1270/4885
US-20130029940-A1 PHOSPHONATES WITH REDUCED TOXICITY FOR TREATMENT OF VIRAL INFECTIONS POLRMT, PNP, MTAP CYP3A4 1443/4885HPRT1 14/4885CDK1 1270/4885
US-20150080344-A1 PHOSPHONATES WITH REDUCED TOXICITY FOR TREATMENT OF VIRAL INFECTIONS POLRMT, PNP, MTAP CYP3A4 1443/4885HPRT1 14/4885CDK1 1270/4885

“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.