SCHEMBL796828

SCHEMBL796828

C=CCNc1nc(N)nc2nc[nH]c12

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 3/20 0.59
NUDT1 P36639 1/20 0.56
CDK2 P24941 3/20 0.56
CCNB1 P14635 2/20 0.56
CCNA2 P20248 2/20 0.56
CCNA1 P78396 2/20 0.56
MGMT P16455 1/20 0.56
PRKACA P17612 3/20 0.55
HDAC1 Q13547 2/20 0.51
HDAC2 Q92769 2/20 0.51
PDPK1 O15530 1/20 0.50
GDA Q9Y2T3 1/20 0.50
BRAF P15056 8/20 0.48
DPP4 P27487 1/20 0.47

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
SCHEMBL16147021 0.80 CDK1 (0.63) CDK1NUDT1CDK2CCNB1CCNA2
SCHEMBL27820320 0.80 PDPK1 (0.54) CDK1NUDT1CDK2CCNB1CCNA2
SCHEMBL10838746 0.79 NUDT1 (0.67) CDK1NUDT1CDK2PRKACAHDAC1
SCHEMBL16146818 0.79 TSHR (0.67) CDK1NUDT1CDK2CCNB1CCNA2
SCHEMBL796827 0.78 CDK1 (0.38) CDK1NUDT1CDK2CCNB1CCNA2
SCHEMBL16146456 0.78 NUDT1 (0.65) CDK1NUDT1CDK2CCNB1CCNA2
SCHEMBL2052757 0.77 CYP1A2 (0.67) CDK2
SCHEMBL29542326 0.77 CYP1A2 (0.67) CDK2
SCHEMBL734360 0.77 PDPK1 (0.50) CDK1CDK2CCNB1CCNA2CCNA1
SCHEMBL16146485 0.77 CDK1 (0.59) CDK1NUDT1CDK2CCNB1CCNA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1490368-B1 2,2-BIS(HYDROXYMETHYL)CYCLOPROPYLIDENEMETHYL - PURINES AND -PYRIMIDINES AS ANTIVIRAL AGENTS UNIV WAYNE STATE (US) 2011-08-03 EP claimed
US-7393855-B2 2,2-bis-(hydroxymethyl)cyclopropylidenemethyl-purines and pyrimidines as antiviral agents THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2008-07-01 US claimed
EP-1490368-A4 2,2-BIS(HYDROXYMETHYL)CYCLOPROPYLIDENEMETHYL - PURINES AND -PYRIMIDINES AS ANTIVIRAL AGENTS UNIV WAYNE STATE (US) 2006-07-19 EP claimed
US-20050113393-A1 2,2-bis-(hydroxymethyl)cyclopropylidenemethyl-purines and pyrmindines as antiviral agents WAYNE STATE UNIVERSITY (US) 2005-05-26 US claimed
EP-1490368-A2 2,2-BIS(HYDROXYMETHYL)CYCLOPROPYLIDENEMETHYL - PURINES AND -PYRIMIDINES AS ANTIVIRAL AGENTS Wayne State University (US) 2004-12-29 EP claimed
WO-2003104440-A2 2,2-BIS(HYDROXYMETHYL)CYCLOPROPYLIDENEMETHYL - PURINES AND -PYRIMIDINES AS ANTIVIRAL AGENTS WAYNE STATE UNIVERSITY (US) 2003-12-18 WO claimed
US-20130231307-A1 NOVEL ANTIVIRAL ACYCLIC NUCLEOSIDE PHOSPHONATES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2013-09-05 US disclosed
EP-2616474-A1 NOVEL ANTIVIRAL ACYCLIC NUCLEOSIDE PHOSPHONATES Centre National De La Recherche Scientifique (FR) 2013-07-24 EP disclosed
WO-2012034719-A1 NOVEL ANTIVIRAL ACYCLIC NUCLEOSIDE PHOSPHONATES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2012-03-22 WO disclosed
US-20060122203-A1 2-Hydroxymethylcyclopropylidenemethylpurines and - pyrimidines as antiviral agents NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2006-06-08 US disclosed
US-6958345-B2 2-hydroxymethylcyclopropylidene methylpurines and -pyrimidines as antiviral agents THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2005-10-25 US disclosed
US-20050009842-A1 2-hydroxymethylcyclopropylidene methylpurines and -pyrimidines as antiviral agents NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2005-01-13 US disclosed
US-6790841-B2 FOR THERAPY OF MAMMAL INFECTED WITH VIRUS WAYNE STATE UNIVERSITY 2004-09-14 US disclosed
US-20020193353-A1 2-hydroxymethylcyclopropylidenemethylpurines and -pyrimidines as antiviral agents WAYNE STATE UNIVERSITY 2002-12-19 US disclosed
WO-2000053603-A9 2-HYDROXY METHYLCYCLOPRO PYLIDENEMETHYL PURINES AND -PYRIMIDINES AS ANTIVIRAL AGENTS UNIV MICHIGAN (US) 2002-05-10 WO disclosed
EP-1165560-A4 2-HYDROXY METHYLCYCLOPRO PYLIDENEMETHYL PURINES AND -PYRIMIDINES AS ANTIVIRAL AGENTS UNIV MICHIGAN (US) 2002-04-17 EP disclosed
US-6352991-B1 VIRICIDES FOR TREATMENT OF AIDS WAYNE STATE UNIVERSITY 2002-03-05 US disclosed
EP-1165560-A1 2-HYDROXY METHYLCYCLOPRO PYLIDENEMETHYL PURINES AND -PYRIMIDINES AS ANTIVIRAL AGENTS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2002-01-02 EP disclosed
WO-2000053603-A1 2-HYDROXY METHYLCYCLOPRO PYLIDENEMETHYL PURINES AND -PYRIMIDINES AS ANTIVIRAL AGENTS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2000-09-14 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 (5 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-20060122203-A1 2-Hydroxymethylcyclopropylidenemethylpurines and - pyrimidines as antiviral agents HPRT1, TPMT, NUDT1 CDK1 2402/4885NUDT1 3/4885CDK2 797/4885
US-20050009842-A1 2-hydroxymethylcyclopropylidene methylpurines and -pyrimidines as antiviral agents TPMT, HPRT1, MTAP CDK1 2863/4885NUDT1 6/4885CDK2 824/4885
US-20050113393-A1 2,2-bis-(hydroxymethyl)cyclopropylidenemethyl-purines and pyrmindines as antiviral agents TPMT, HPRT1, MTAP CDK1 3163/4885NUDT1 6/4885CDK2 566/4885
US-20130231307-A1 NOVEL ANTIVIRAL ACYCLIC NUCLEOSIDE PHOSPHONATES PNP, TYMP, EIF2AK2 CDK1 203/4885NUDT1 13/4885CDK2 370/4885
US-20020193353-A1 2-hydroxymethylcyclopropylidenemethylpurines and -pyrimidines as antiviral agents TPMT, HPRT1, MTAP CDK1 2857/4885NUDT1 4/4885CDK2 1102/4885

“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.