SCHEMBL3671339

SCHEMBL3671339

Nc1nc2nc[nH]c2c(=O)n1CCCl

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.44
PNP P00491 2/20 0.43
ADORA2A P29274 7/20 0.42
PDE4A P27815 6/20 0.42
ADORA2B P29275 6/20 0.42
PDE4B Q07343 6/20 0.42
PDE4C Q08493 6/20 0.42
PDE4D Q08499 6/20 0.42
ADORA3 P0DMS8 1/20 0.39
PDPK1 O15530 1/20 0.39
GDA Q9Y2T3 1/20 0.39
CFTR P13569 1/20 0.39

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
SCHEMBL27842808 0.85 PDE4A (0.53) DPP4PNPADORA2APDE4AADORA2B
SCHEMBL667797 0.85 PDE4A (0.60) ADORA2APDE4AADORA2BPDE4BPDE4C
SCHEMBL6272735 0.83 PDE4A (0.59) ADORA2APDE4AADORA2BPDE4BPDE4C
SCHEMBL874737 0.82 ADORA2A (0.56) DPP4PNPADORA2APDE4AADORA2B
SCHEMBL28071828 0.82 PNP (0.45) DPP4PNPADORA2APDE4AADORA2B
SCHEMBL1047660 0.82 PNP (0.45) DPP4PNPADORA2APDE4AADORA2B
SCHEMBL28305222 0.82 PDE4A (0.56) DPP4PNPADORA2APDE4AADORA2B
SCHEMBL8522275 0.82 ADORA2B (0.61) ADORA2APDE4AADORA2BPDE4BPDE4C
SCHEMBL17186421 0.81 CDK2 (0.43) DPP4PNPADORA2APDE4AADORA2B
SCHEMBL8536009 0.81 ADORA2B (0.64) ADORA2APDE4AADORA2BPDE4BPDE4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160022605-A1 METHODS FOR REDUCING MICROSATELLITE INSTABILITY INDUCED BY CHEMOTHERAPY AND METHODS FOR SCREENING ANTIOXIDANTS THAT SUPPRESS DRUG-INDUCED MICROSATELLITE INSTABILITY WHILE ENHANCING THE CYTOTOXICITY OF CHEMOTHERAPEUTIC AGENTS CHANG CHRISTINA LING (TW) 2016-01-28 US disclosed
CN-102276610-B Method for preparing N7-guanine alkylate UNIV BEIJING TECHNOLOGY 2013-01-09 CN disclosed
CN-102276610-A Method for preparing N7-guanine alkylate 2011-12-14 CN disclosed
EP-0910246-B1 USE OF MUTANT ALKYLTRANSFERASES FOR GENE THERAPY TO PROTECT FROM TOXICITY OF THERAPEUTIC ALKYLATING AGENTS PENN STATE RES FOUND (US) 2010-08-18 EP disclosed
CN-100355886-C nucleotide chain modification method MATSUSHITA ELECTRIC INDUSTRIAL CO LTD (JP) 2007-12-19 CN disclosed
CN-1780909-A nucleotide chain modification method MATSUSHITA ELECTRIC INDUSTRIAL CO LTD (JP) 2006-05-31 CN disclosed
EP-0910246-A4 USE OF MUTANT ALKYLTRANSFERASES FOR GENE THERAPY TO PROTECT FROM TOXICITY OF THERAPEUTIC ALKYLATING AGENTS PENN STATE RES FOUND (US) 2003-07-02 EP disclosed
WO-1999025386-A1 delta-O6-METHYLGUANINE-DNA METHYLTRANSFERASE GENE TRANSFER FOR O6-BENZYLGUANINE AND (N,N'-BIS(2-CHLOROETHYL)-N-NITROSOUREA) RESISTANCE CASE WESTERN RESERVE UNIVERSITY (US) 1999-05-27 WO disclosed
EP-0910246-A1 USE OF MUTANT ALKYLTRANSFERASES FOR GENE THERAPY TO PROTECT FROM TOXICITY OF THERAPEUTIC ALKYLATING AGENTS THE PENN STATE RESEARCH FOUNDATION (US) 1999-04-28 EP disclosed
WO-1997035477-A1 USE OF MUTANT ALKYLTRANSFERASES FOR GENE THERAPY TO PROTECT FROM TOXICITY OF THERAPEUTIC ALKYLATING AGENTS THE PENN STATE RESEARCH FOUNDATION (US) 1997-10-02 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 (1 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-20160022605-A1 METHODS FOR REDUCING MICROSATELLITE INSTABILITY INDUCED BY CHEMOTHERAPY AND METHODS FOR SCREENING ANTIOXIDANTS THAT SUPPRESS DRUG-INDUCED MICROSATELLITE INSTABILITY WHILE ENHANCING THE CYTOTOXICITY OF CHEMOTHERAPEUTIC AGENTS MSH2, PCNA, PMS2 DPP4 4601/4885PNP 2676/4885ADORA2A 4448/4885

“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.