SCHEMBL796827

SCHEMBL796827

C=CCNc1nc(N)nc2[nH]cnc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 4/20 0.38
CCNA2 P20248 3/20 0.38
CDK2 P24941 3/20 0.38
CCNA1 P78396 3/20 0.38
CCNB1 P14635 2/20 0.38
MGMT P16455 1/20 0.38
ALDH1A1 P00352 6/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
INSR P06213 1/20 0.36
IGF1R P08069 1/20 0.36
FGFR1 P11362 1/20 0.36
KDR P35968 1/20 0.36
KDM4E B2RXH2 5/20 0.35
LMNA P02545 4/20 0.35
HTT P42858 4/20 0.35
MAPK1 P28482 3/20 0.35
HSD17B10 Q99714 2/20 0.35
PRKACA P17612 4/20 0.34
PRKACG P22612 1/20 0.34
PRKACB P22694 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
SCHEMBL11461668 0.80 SMN1; SMN2 (0.46) CDK1CDK2CCNB1ALDH1A1L3MBTL1
SCHEMBL8348019 0.80 NLRP3 (0.40) CDK1CCNA2CDK2CCNA1CCNB1
SCHEMBL10838740 0.78 NUDT1 (0.41) CDK1PRKACANUDT1HDAC1HDAC2
SCHEMBL16146817 0.78 TSHR (0.52) CDK1CCNA2CDK2CCNA1CCNB1
SCHEMBL796828 0.78 CDK1 (0.59) CDK1CCNA2CDK2CCNA1CCNB1
SCHEMBL8826182 0.77 APP (0.47) ALDH1A1HTTPRKACANUDT1
SCHEMBL8826353 0.77 CHUK (0.50) CDK1CCNA2CDK2CCNA1KDM4E
SCHEMBL16146484 0.76 HRH4 (0.39) CDK1CCNA2CDK2CCNA1CCNB1
SCHEMBL12933327 0.76 NUDT1 (0.51) CDK1CDK2CCNB1PRKACANUDT1
SCHEMBL8523000 0.76 INSR (0.39) CDK1CCNA2CDK2CCNA1CCNB1

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 24 patents — showing the first 20. 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
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
US-5663154-A VIRICIDES, HIV, HEPATITIS GLAXO WELLCOME INC. (US) 1997-09-02 US disclosed
EP-0648218-A1 THERAPEUTIC NUCLEOSIDES THE WELLCOME FOUNDATION LIMITED (GB) 1995-04-19 EP disclosed
EP-0625158-A1 THERAPEUTIC NUCLEOSIDES THE WELLCOME FOUNDATION LIMITED (GB) 1994-11-23 EP disclosed
WO-1994001443-A1 THERAPEUTIC NUCLEOSIDES THE WELLCOME FOUNDATION LIMITED (GB) 1994-01-20 WO disclosed
WO-1993014103-A1 THERAPEUTIC NUCLEOSIDES THE WELLCOME FOUNDATION LIMITED (GB) 1993-07-22 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-20060122203-A1 2-Hydroxymethylcyclopropylidenemethylpurines and - pyrimidines as antiviral agents HPRT1, TPMT, NUDT1 CDK1 2402/4885CCNA2 610/4885CDK2 797/4885
US-20050009842-A1 2-hydroxymethylcyclopropylidene methylpurines and -pyrimidines as antiviral agents TPMT, HPRT1, MTAP CDK1 2863/4885CCNA2 807/4885CDK2 824/4885
US-20050113393-A1 2,2-bis-(hydroxymethyl)cyclopropylidenemethyl-purines and pyrmindines as antiviral agents TPMT, HPRT1, MTAP CDK1 3163/4885CCNA2 782/4885CDK2 566/4885
US-20130231307-A1 NOVEL ANTIVIRAL ACYCLIC NUCLEOSIDE PHOSPHONATES PNP, TYMP, EIF2AK2 CDK1 203/4885CCNA2 643/4885CDK2 370/4885

“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.