SCHEMBL14669074

SCHEMBL14669074

COC[C@H](Cn1cnc2c(N)nc(N)nc21)OCP(=O)(O)OC

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 1/20 0.45
CCNB1 P14635 1/20 0.45
CCNE1 P24864 1/20 0.45
CDK2 P24941 1/20 0.45
HPRT1 P00492 7/20 0.45
CYP3A4 P08684 8/20 0.44
CYP2D6 P10635 8/20 0.44

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
SCHEMBL16131315 1.00 CDK1 (0.45) CDK1CCNB1CCNE1CDK2HPRT1
SCHEMBL14669075 1.00 CDK1 (0.45) CDK1CCNB1CCNE1CDK2HPRT1
SCHEMBL14665371 0.92 CYP2D6 (0.49) CDK1CCNB1CCNE1CDK2HPRT1
SCHEMBL14665372 0.92 CYP2D6 (0.49) CDK1CCNB1CCNE1CDK2HPRT1
SCHEMBL14669210 0.92 CYP3A4 (0.53) CDK1CCNB1CCNE1CDK2HPRT1
SCHEMBL14669190 0.92 CYP3A4 (0.53) CDK1CCNB1CCNE1CDK2HPRT1
SCHEMBL14669198 0.92 CYP3A4 (0.53) CDK1CCNB1CCNE1CDK2HPRT1
SCHEMBL14669227 0.91 CDK1 (0.46) CDK1CCNB1CCNE1CDK2HPRT1
SCHEMBL14669230 0.91 CDK1 (0.46) CDK1CCNB1CCNE1CDK2HPRT1
SCHEMBL14669231 0.91 CDK1 (0.46) CDK1CCNB1CCNE1CDK2HPRT1

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 CDK1 1270/4885CCNB1 2227/4885CCNE1 1470/4885
US-20130029940-A1 PHOSPHONATES WITH REDUCED TOXICITY FOR TREATMENT OF VIRAL INFECTIONS POLRMT, PNP, MTAP CDK1 1270/4885CCNB1 2227/4885CCNE1 1470/4885
US-20150080344-A1 PHOSPHONATES WITH REDUCED TOXICITY FOR TREATMENT OF VIRAL INFECTIONS POLRMT, PNP, MTAP CDK1 1270/4885CCNB1 2227/4885CCNE1 1470/4885

“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.