SCHEMBL1337883

SCHEMBL1337883

Nc1nc(C2CC2)c2ncn(N)c2n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP3K12 Q12852 7/20 0.35
CDK1 P06493 3/20 0.35
CCNB1 P14635 3/20 0.35
CCNE1 P24864 3/20 0.35
CDK2 P24941 3/20 0.35
AHCY P23526 1/20 0.35
KDM4E B2RXH2 1/20 0.33
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
DHFR P00374 2/20 0.32
ADORA2A P29274 1/20 0.32
NR1I2 O75469 1/20 0.31
ALB P02768 1/20 0.31
PDE4D Q08499 1/20 0.31
CYP1A2 P05177 1/20 0.30
TSHR P16473 1/20 0.30
TLR9 Q9NR96 1/20 0.30
TLR7 Q9NYK1 1/20 0.30
HRH2 P25021 1/20 0.30

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
SCHEMBL28004983 0.82 PKM (0.33) MAP3K12
SCHEMBL27395069 0.78 MAP3K12 (0.35) MAP3K12CDK1CCNB1CCNE1CDK2
SCHEMBL27593680 0.76 ADORA2A (0.40) AHCYMAPK1HSD17B10ADORA2ACYP1A2
SCHEMBL6510998 0.74 CDK1 (0.58) CDK1CCNB1CCNE1CDK2AHCY
SCHEMBL6268058 0.73 HRH2 (0.38) MAP3K12CDK1CCNB1CCNE1CDK2
SCHEMBL6270184 0.72 HRH2 (0.40) MAP3K12CDK1CCNB1CCNE1CDK2
SCHEMBL27531530 0.72 CDK2 (0.39) CDK1CCNB1CCNE1CDK2AHCY
SCHEMBL17040218 0.72 HSP90AB1 (0.47)
SCHEMBL27220347 0.72 CDK1 (0.42) CDK1CCNB1CCNE1CDK2
SCHEMBL217726 0.71 POLB (0.45) CDK1CCNB1CCNE1CDK2ADORA2A

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
CN-104447746-A Compound for activating AMPK and application thereof HUAAN MEDICAL CO LTD 2015-03-25 CN claimed
CN-104447746-A Compound for activating AMPK and application thereof HUAAN MEDICAL CO LTD 2015-03-25 CN disclosed
US-8232275-B2 2,2-bis-(hydroxymethyl)cyclopropylidenemethyl-purines and -pyrimidines as antiviral agents WAYNE STATE UNIVERSITY (US) 2012-07-31 US disclosed
US-20110275652-A1 2,2-BIS-(HYDROXYMETHYL)CYCLOPROPYLIDENEMETHYL-PURINES AND -PYRIMIDINES AS ANTIVIRAL AGENTS WAYNE STATE UNIVERSITY 2011-11-10 US disclosed
EP-1490368-B1 2,2-BIS(HYDROXYMETHYL)CYCLOPROPYLIDENEMETHYL - PURINES AND -PYRIMIDINES AS ANTIVIRAL AGENTS UNIV WAYNE STATE (US) 2011-08-03 EP disclosed
CN-101429215-A Process for selectively producing 1-phosphorylated sugar derivative anomer and process for producing nucleoside MITSUI CHEMICALS INC (JP) 2009-05-13 CN disclosed
US-20090118308-A1 2,2-Bis-(hydroxymethyl)cyclopropylidenemethyl-Purines and -Pyrimidines As Antiviral Agents WAYNE STATE UNIVERSITY (US) 2009-05-07 US disclosed
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 disclosed
EP-1490368-A4 2,2-BIS(HYDROXYMETHYL)CYCLOPROPYLIDENEMETHYL - PURINES AND -PYRIMIDINES AS ANTIVIRAL AGENTS UNIV WAYNE STATE (US) 2006-07-19 EP disclosed
US-20050113393-A1 2,2-bis-(hydroxymethyl)cyclopropylidenemethyl-purines and pyrmindines as antiviral agents WAYNE STATE UNIVERSITY (US) 2005-05-26 US disclosed
EP-1490368-A2 2,2-BIS(HYDROXYMETHYL)CYCLOPROPYLIDENEMETHYL - PURINES AND -PYRIMIDINES AS ANTIVIRAL AGENTS Wayne State University (US) 2004-12-29 EP disclosed
WO-2003104440-A2 2,2-BIS(HYDROXYMETHYL)CYCLOPROPYLIDENEMETHYL - PURINES AND -PYRIMIDINES AS ANTIVIRAL AGENTS WAYNE STATE UNIVERSITY (US) 2003-12-18 WO disclosed
CN-1372564-A Process for selectively preparing anomers of 1-phosphorylated sugar derivatives and process for preparing nucleosides MITSUI CHEMICALS INC (JP) 2002-10-02 CN disclosed
CN-1087089-A The treatment nucleosides WELLCOME FOUND (GB) 1994-05-25 CN 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-20110275652-A1 2,2-BIS-(HYDROXYMETHYL)CYCLOPROPYLIDENEMETHYL-PURINES AND -PYRIMIDINES AS ANTIVIRAL AGENTS TPMT, HPRT1, MTAP MAP3K12 4471/4885CDK1 3206/4885CCNB1 1662/4885
US-20050113393-A1 2,2-bis-(hydroxymethyl)cyclopropylidenemethyl-purines and pyrmindines as antiviral agents TPMT, HPRT1, MTAP MAP3K12 4478/4885CDK1 3163/4885CCNB1 1783/4885
US-20090118308-A1 2,2-Bis-(hydroxymethyl)cyclopropylidenemethyl-Purines and -Pyrimidines As Antiviral Agents TPMT, HPRT1, MTAP MAP3K12 4471/4885CDK1 3206/4885CCNB1 1662/4885

“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.