SCHEMBL1302001

SCHEMBL1302001

Nc1nc2nc[nH]c2c(=O)n1N=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNP P00491 1/20 0.46
DPP4 P27487 1/20 0.44
PDPK1 O15530 1/20 0.42
GDA Q9Y2T3 1/20 0.42
CDK2 P24941 4/20 0.40
ALDH1A1 P00352 1/20 0.40
MAP3K5 Q99683 1/20 0.37
CDK1 P06493 3/20 0.36
CCNB1 P14635 3/20 0.36
CCNA2 P20248 3/20 0.36
CCNA1 P78396 3/20 0.36
MGMT P16455 3/20 0.36
PI4KA P42356 2/20 0.36
PI4K2B Q8TCG2 2/20 0.36
PI4K2A Q9BTU6 2/20 0.36
PI4KB Q9UBF8 2/20 0.36
LMNA P02545 2/20 0.36
DRD3 P35462 1/20 0.36
XDH P47989 1/20 0.36
LRRK2 Q5S007 1/20 0.36

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
SCHEMBL2470033 0.85 PNP (0.42) PNPDPP4PDPK1GDACDK2
SCHEMBL41788 0.78 PNP (0.50) PNPDPP4PDPK1GDACDK2
SCHEMBL30542971 0.77 XDH (0.41) PNPDPP4GDAALDH1A1XDH
SCHEMBL20579 0.77 DPP4 (0.50) PNPDPP4PDPK1GDACDK2
SCHEMBL8886040 0.77 PNP (0.49) PNPDPP4PDPK1GDACDK2
SCHEMBL1843777 0.77 PNP (0.49) PNPDPP4PDPK1GDACDK2
SCHEMBL27975255 0.77 PNP (0.49) PNPDPP4PDPK1GDACDK2
SCHEMBL2983851 0.77 PNP (0.49) PNPDPP4PDPK1GDACDK2
SCHEMBL20867 0.77 ATAD2 (0.53) PNPDPP4PDPK1GDALMNA
SCHEMBL2051365 0.77 PNP (0.49) PNPDPP4PDPK1GDACDK2

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 49 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023146475-A2 METHOD FOR DETERMINING GENOTOXICITY AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2023-08-03 WO disclosed
US-8597900-B2 Compositions and methods for the treatment of cancer DANA-FARBER CANCER INSTITUTE, INC. (US) 2013-12-03 US disclosed
US-20130280258-A1 PROGNOSTIC, DIAGNOSTIC, AND CANCER THERAPEUTIC USES OF FANCI AND FANCI MODULATING AGENTS MILTENYI BIOTEC GMBH (DE) 2013-10-24 US disclosed
US-8541198-B2 Method for determination and quantification of radiation or genotoxin exposure DANA-FARBER CANCER INSTITUTE, INC. (US) 2013-09-24 US disclosed
US-8541192-B2 Methods to identify USP1 deubiquitinating enzyme complex inhibitors DANA-FARBER CANCER INSTITUTE, INC. (US) 2013-09-24 US disclosed
US-20110312514-A1 Method For Determination And Quantification Of Radiation Or Genotoxin Exposure DANA-FARBER CANCER INSTITUTE, INC. (US) 2011-12-22 US disclosed
US-20110269817-A1 COMPOSITIONS AND METHODS RELATED TO SIRT1 FUNCTION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-11-03 US disclosed
US-20110151487-A1 Compositions And Methods For The Treatment Of Cancer DANA-FARBER CANCER INSTITUTE, INC. 2011-06-23 US disclosed
EP-2315600-A2 COMPOSITIONS AND METHODS RELATED TO SIRT1 FUNCTION The Regents of the University of California (US) 2011-05-04 EP disclosed
US-7910325-B2 Screening agents which modulate formation of Fanconi anemia complementation group D2 (FANC D2) -containing foci; cell expressing polynucleotide comprising DNA sequence encoding protein; determining a subject's sensitivity to a genotoxic agent DANA-FARBER CANCER INSTITUTE, INC. (US) 2011-03-22 US disclosed
EP-0485591-A4 METHOD OF ISOLATING RESTRICTION FRAGMENT DELETIONS IN -I(VIBRIO CHOLERAE), AND PRODUCTS THEREOF 1993-07-14 EP disclosed
EP-0517413-A1 Fermentation of a triol heptanoic acid by mutant strains of aspergillus terreus MERCK & CO. INC. (US) 1992-12-09 EP disclosed
US-5135862-A METHOD OF ISOLATING RESTRICTION FRAGMENT DELETIONS IN VIBRIO CHOLERAE, PRODUCTS THEREOF UNIVERSITY OF MARYLAND (US) 1992-08-04 US disclosed
EP-0485591-A1 METHOD OF ISOLATING RESTRICTION FRAGMENT DELETIONS IN -i(VIBRIO CHOLERAE), AND PRODUCTS THEREOF. UNIV MARYLAND (US) 1992-05-20 EP disclosed
WO-1991018979-A1 METHOD OF ISOLATING RESTRICTION FRAGMENT DELETIONS IN VIBRIO CHOLERAE, AND PRODUCTS THEREOF UNIVERSITY OF MARYLAND AT BALTIMORE (US) 1991-12-12 WO disclosed
EP-0179864-B1 PROCESS FOR PREPARING L-CARNITINE WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 1990-08-22 EP disclosed
US-4751182-A AEROBIC DEGRADATION OF RACEMIC MIXTURE USING NEISSERIA MICROORGANISMS WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 1988-06-14 US disclosed
EP-0179864-A4 PROCESS FOR PREPARING L-CARNITINE. WISCONSIN ALUMNI RES FOUND (US) 1987-01-20 EP disclosed
EP-0179864-A1 PROCESS FOR PREPARING L-CARNITINE. WISCONSIN ALUMNI RES FOUND (US) 1986-05-07 EP disclosed
WO-1985004900-A1 PROCESS FOR PREPARING L-CARNITINE WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 1985-11-07 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 (2 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-20110269817-A1 COMPOSITIONS AND METHODS RELATED TO SIRT1 FUNCTION CRY1, PER2, SIRT1 PNP 3131/4885DPP4 2167/4885PDPK1 1224/4885
US-20130280258-A1 PROGNOSTIC, DIAGNOSTIC, AND CANCER THERAPEUTIC USES OF FANCI AND FANCI MODULATING AGENTS FANCI, FANCF, FANCD2 PNP 2237/4885DPP4 4709/4885PDPK1 986/4885

“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.