SCHEMBL1337886

SCHEMBL1337886

Nc1nc(C2CC2)c2[nH]c(N)nc2n1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PNP P00491 1/20 0.42
▸ DHFR P00374 1/20 0.33
▸ TXN P10599 1/20 0.33
▸ CCNA2 P20248 3/20 0.33
▸ CDK2 P24941 3/20 0.33
▸ HRH2 P25021 1/20 0.33
▸ HRH3 Q9Y5N1 1/20 0.33
▸ NUDT1 P36639 1/20 0.32
▸ CDK1 P06493 2/20 0.31
▸ CCNB1 P14635 2/20 0.31
▸ USP2 O75604 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ ALOX15 P16050 1/20 0.31
▸ GFER P55789 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31

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
SCHEMBL28004484 0.82 PNP (0.40) PNPTXN
SCHEMBL27523662 0.82 PNP (0.40) PNPTXN
SCHEMBL28004985 0.82 PNP (0.40) PNPTXN
SCHEMBL27593677 0.82 HRH2 (0.34) DHFRCCNA2CDK2HRH2HRH3
SCHEMBL27491043 0.76 PNP (0.38) PNPTXN
SCHEMBL6268061 0.76 HRH2 (0.39) CCNA2CDK2HRH2HRH3CDK1
SCHEMBL6270186 0.75 HRH2 (0.41) CCNA2CDK2HRH2HRH3CDK1
SCHEMBL8536920 0.71 PDPK1 (0.58) CCNA2CDK2CDK1CCNB1
SCHEMBL3396382 0.71 PNP (0.52) PNP
SCHEMBL28004912 0.70 PNP (0.42) PNPTXN

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 PNP 11/4885DHFR 163/4885TXN 1496/4885
US-20050113393-A1 2,2-bis-(hydroxymethyl)cyclopropylidenemethyl-purines and pyrmindines as antiviral agents TPMT, HPRT1, MTAP PNP 7/4885DHFR 211/4885TXN 1625/4885
US-20090118308-A1 2,2-Bis-(hydroxymethyl)cyclopropylidenemethyl-Purines and -Pyrimidines As Antiviral Agents TPMT, HPRT1, MTAP PNP 11/4885DHFR 163/4885TXN 1496/4885

“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.

Send feedback