SCHEMBL385154

SCHEMBL385154

CC(OCP(=O)(O)O)n1c(N)nc2nc[nH]c2c1=O

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 8/20 0.38
CCNB1 P14635 8/20 0.38
CCNA2 P20248 8/20 0.38
CDK2 P24941 8/20 0.38
CCNA1 P78396 8/20 0.38
MGMT P16455 3/20 0.36
HPRT1 P00492 3/20 0.35
PNP P00491 1/20 0.35
CYP3A4 P08684 1/20 0.34
PDPK1 O15530 1/20 0.34
GDA Q9Y2T3 1/20 0.34
ADORA2B P29275 1/20 0.34
CYP1A2 P05177 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
SCHEMBL16037341 0.87 CDK1 (0.40) CDK1CCNB1CCNA2CDK2CCNA1
SCHEMBL9170817 0.82 HPRT1 (0.43) CDK1CCNB1CCNA2CDK2CCNA1
SCHEMBL385152 0.82 HPRT1 (0.38) HPRT1CYP3A4
SCHEMBL6751932 0.78 PNP (0.43) CDK1CCNB1CCNA2CDK2CCNA1
SCHEMBL2385930 0.77 ADORA2B (0.50) CDK1CCNB1CCNA2CDK2CCNA1
SCHEMBL5503610 0.76 CDK1 (0.42) CDK1CCNB1CCNA2CDK2CCNA1
SCHEMBL16020626 0.76 HPRT1 (0.43) MGMTHPRT1PNPADORA2B
SCHEMBL9806974 0.76 PNP (0.44) CDK1CCNB1CCNA2CDK2CCNA1
SCHEMBL15545146 0.76 HPRT1 (0.42) CDK1CCNB1CCNA2CDK2CCNA1
SCHEMBL8921064 0.75 ADORA2B (0.35) CDK1CCNB1CCNA2CDK2CCNA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2012799-B1 METABOLICALLY STABLE ALKOXYALKYL ESTERS OF ANTIVIRAL OR ANTIPROLIFERATIVE PHOSPHONATES, NUCLEOSIDE PHOSPHONATES AND NUCLEOSIDE PHOSPHATES CHIMERIX INC (US) 2016-08-24 EP claimed
EP-1831235-B1 LUNG-TARGETED DRUGS UNIV CALIFORNIA (US) 2013-02-20 EP disclosed
US-8318700-B2 Lung-targeted drugs THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-11-27 US disclosed
US-20120122818-A1 LUNG-TARGETED DRUGS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-05-17 US disclosed
US-8101745-B2 Conjugate cidofovir, idoxuridine, vidarabine, trifluridine, acyclovir, famciclovir penciclovir, valacyclovir, ganciclovir, antiviral, antimicrobial, cancer drug of interest to glycerol ethers or glycerol phosphate ethers THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-01-24 US disclosed
EP-2107909-A2 COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF LIVER DISORDERS IDENIX Pharmaceuticals, Inc. (US) 2009-10-14 EP disclosed
US-20090156545-A1 Substituted Phosphate Esters of Nucleoside Phosphonates THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2009-06-18 US disclosed
US-20080261913-A1 Phosphoroamidate conjugated to therapeutic agent such as Aclarubicin; nucleoside derivatives; S-pivaloyl-2-thioethyl phosphoroamidate; liver cancer, inflammation, fibrosis, metabolic disorders IDENIX PHARMACEUTICALS, INC. 2008-10-23 US disclosed
US-20080221061-A1 Lung-Targeted Drugs THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-09-11 US disclosed
WO-2008082602-A2 COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF LIVER DISORDERS IDENIX PHARMACEUTICALS, INC. (US) 2008-07-10 WO disclosed
EP-1831235-A2 LUNG-TARGETED DRUGS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-09-12 EP disclosed
WO-2006130217-A2 SUBSTITUTED PHOSPHATE ESTERS OF NUCLEOSIDE PHOSPHONATES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2006-12-07 WO disclosed
WO-2006066074-A2 LUNG-TARGETED DRUGS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2006-06-22 WO disclosed
WO-1996009307-A1 PURINE AND 8-AZAPURINE DERIVATIVES SUITABLE TO THE THERAPEUTIC TREATMENT OF AIDS ISTITUTO SUPERIORE DI SANITA' (IT) 1996-03-28 WO 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 (4 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-20090156545-A1 Substituted Phosphate Esters of Nucleoside Phosphonates PNP, TYMP, ENPP1 CDK1 361/4885CCNB1 1030/4885CCNA2 1024/4885
US-20080221061-A1 Lung-Targeted Drugs DGKG, GK, PHOSPHO1 CDK1 1683/4885CCNB1 2573/4885CCNA2 3287/4885
US-20120122818-A1 LUNG-TARGETED DRUGS DGKG, GK, PHOSPHO1 CDK1 1683/4885CCNB1 2573/4885CCNA2 3287/4885
US-20080261913-A1 Phosphoroamidate conjugated to therapeutic agent such as Aclarubicin; nucleoside derivatives; S-pivaloyl-2-thioethyl phosphoroamidate; liver cancer, inflammation, fibrosis, metabolic disorders NTPCR, PNP, TYMP CDK1 805/4885CCNB1 344/4885CCNA2 682/4885

“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.