SCHEMBL6340352

SCHEMBL6340352

CN(Cc1ccc2nc(N)nc(N)c2c1)c1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1

nearest known ligand 0.90

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHFR P00374 10/20 0.90
TYMS P04818 4/20 0.63
KDM4E B2RXH2 1/20 0.63
TLR4 O00206 1/20 0.63
MEN1 O00255 1/20 0.63
ALDH1A1 P00352 1/20 0.63
LMNA P02545 1/20 0.63
TP53 P04637 1/20 0.63
GLA P06280 1/20 0.63
POLB P06746 1/20 0.63
HMGB1 P09429 1/20 0.63
MAPT P10636 1/20 0.63
FOLR2 P14207 1/20 0.63
FOLR1 P15328 1/20 0.63
HPGD P15428 1/20 0.63
ALOX15 P16050 1/20 0.63
ALOX12 P18054 1/20 0.63
GART P22102 1/20 0.63
APEX1 P27695 1/20 0.63
CASP1 P29466 1/20 0.63

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
SCHEMBL15056952 1.00 DHFR (0.90) DHFRTYMSKDM4ETLR4MEN1
SCHEMBL24413577 0.92 DHFR (0.77) DHFRTYMSKDM4ETLR4MEN1
SCHEMBL24413580 0.92 DHFR (0.77) DHFRTYMSKDM4ETLR4MEN1
SCHEMBL6337570 0.92 DHFR (0.77) DHFRTYMSKDM4ETLR4MEN1
SCHEMBL10820237 0.87 DHFR (0.72) DHFRTYMSKDM4ETLR4MEN1
SCHEMBL10848540 0.87 DHFR (0.72) DHFRTYMSKDM4ETLR4MEN1
SCHEMBL9446115 0.84 DHFR (0.75) DHFRFOLR2FOLR1GARTSLC19A1
SCHEMBL9892511 0.84 DHFR (0.75) DHFRTYMSKDM4ETLR4MEN1
SCHEMBL12153090 0.83 DHFR (0.75) DHFRTYMSKDM4ETLR4MEN1
SCHEMBL29711367 0.83 DHFR (0.89) DHFRTYMSGARTATIC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2797417-B1 SELECTIVE INHIBITION OF PHOSPHOENOLPYRUVATE CARBOXYLASES OF C4 PLANTS HEINRICH HEINE UNIV DUESSELDORF (DE) 2019-07-31 EP disclosed
US-20150216167-A1 SELECTIVE INHIBITION OF C4-PEP CARBOXYLASES HEINRICH HEINE UNIVERSITAT DUSSELDORF (DE) 2015-08-06 US disclosed
EP-2797417-A1 SELECTIVE INHIBITION OF PHOSPHOENOLPYRUVATE CARBOXYLASES OF C4 PLANTS Heinrich-Heine-Universität Düsseldorf (DE) 2014-11-05 EP disclosed
WO-2013093007-A1 SELECTIVE INHIBITION OF PHOSPHOENOLPYRUVATE CARBOXYLASES OF C4 PLANTS HEINRICH HEINE UNIVERSITÄT DÜSSELDORF (DE) 2013-06-27 WO disclosed
US-20050080260-A1 Preparation of prodrugs for selective drug delivery LUMINIDE 2005-04-14 US disclosed
US-6555663-B1 Pharmaceuticals which are activated intracellularly by reaction with cellular electron carriers or free radicals to cause release of a free and active drug molecule MILLS RANDELL LEE (US) 2003-04-29 US disclosed
EP-0414730-B1 Chemical Compounds and pharmaceutical compositions capable of releasing a drug MILLS RANDELL L (US) 1999-12-15 EP disclosed
US-5428163-A Luminides; chemiluminescence; redox system, releasing free drug MILLS RANDELL L (US) 1995-06-27 US disclosed
EP-0414730-A4 LUMINIDE AND MACROLUMINIDE CLASS OF PHARMACEUTICALS 1993-06-16 EP disclosed
EP-0414730-A1 LUMINIDE AND MACROLUMINIDE CLASS OF PHARMACEUTICALS Mills, Randell L. (US) 1991-03-06 EP disclosed
WO-1989009833-A1 LUMINIDE AND MACROLUMINIDE CLASS OF PHARMACEUTICALS MILLS RANDELL L (US) 1989-10-19 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-20050080260-A1 Preparation of prodrugs for selective drug delivery APEH, PAH, ALAD DHFR 131/4885TYMS 2358/4885KDM4E 3072/4885
US-20150216167-A1 SELECTIVE INHIBITION OF C4-PEP CARBOXYLASES CBR3, GRHPR, PCK1 DHFR 703/4885TYMS 2262/4885KDM4E 559/4885

“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.