SCHEMBL1021371

SCHEMBL1021371

Nc1nc(N)c2nc(CCNc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)cnc2n1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHFR P00374 11/20 0.79
FOLR1 P15328 2/20 0.69
SLC19A1 P41440 2/20 0.69
SLC46A1 Q96NT5 2/20 0.69
KDM4E B2RXH2 1/20 0.69
TLR4 O00206 1/20 0.69
MEN1 O00255 1/20 0.69
ALDH1A1 P00352 1/20 0.69
LMNA P02545 1/20 0.69
TP53 P04637 1/20 0.69
TYMS P04818 1/20 0.69
GLA P06280 1/20 0.69
POLB P06746 1/20 0.69
HMGB1 P09429 1/20 0.69
MAPT P10636 1/20 0.69
FOLR2 P14207 1/20 0.69
HPGD P15428 1/20 0.69
ALOX15 P16050 1/20 0.69
ALOX12 P18054 1/20 0.69
GART P22102 1/20 0.69

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
SCHEMBL864864 1.00 DHFR (0.79) DHFRFOLR1SLC19A1SLC46A1KDM4E
SCHEMBL6907145 0.92 DHFR (0.67) DHFRFOLR1SLC19A1SLC46A1KDM4E
Aminopterin SCHEMBL29398079 0.91 DHFR (0.76) DHFRFOLR1SLC19A1SLC46A1KDM4E
Aminopterin SCHEMBL9514067 0.91 DHFR (0.76) DHFRFOLR1SLC19A1SLC46A1KDM4E
Aminopterin SCHEMBL8887 0.91 DHFR (0.76) DHFRFOLR1SLC19A1SLC46A1KDM4E
Aminopterin SCHEMBL29443569 0.91 DHFR (0.76) DHFRFOLR1SLC19A1SLC46A1KDM4E
Aminopterin SCHEMBL8161477 0.91 DHFR (0.76) DHFRFOLR1SLC19A1SLC46A1KDM4E
Aminopterin SCHEMBL1626034 0.91 DHFR (0.76) DHFRFOLR1SLC19A1SLC46A1KDM4E
Aminopterin SCHEMBL20769794 0.91 DHFR (0.76) DHFRFOLR1SLC19A1SLC46A1KDM4E
Aminopterin SCHEMBL23581239 0.90 DHFR (0.75) DHFRFOLR1SLC19A1SLC46A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120136335-A1 FOCAL MEDICATION TITRATION SYSTEM HOBBS JONATHAN P (US) 2012-05-31 US claimed
EP-1991586-B1 CHIMERIC CONSTRUCTS BETWEEN CANCER-HOMING PEPTIDES AND CELL-PENETRATING PEPTIDES COUPLED TO ANTICANCER DRUGS AND/OR DIAGNOSTIC AGENT/AGENTS CEPEP III AB (SE) 2011-01-12 EP claimed
EP-2547367-A1 SYSTEM FOR IMPROVED DELIVERY OF GENE MODULATING COMPOUNDS GE Healthcare Bio-Sciences AB (SE) 2013-01-23 EP disclosed
US-20130011448-A1 SYSTEM FOR IMPROVED DELIVERY OF GENE MODULATING COMPOUNDS GE HEALTHCARE BIO-SCIENCES AB (SE) 2013-01-10 US disclosed
WO-2011115555-A1 SYSTEM FOR IMPROVED DELIVERY OF GENE MODULATING COMPOUNDS GE HEALTHCARE BIO-SCIENCES AB (SE) 2011-09-22 WO disclosed
EP-1991586-B1 CHIMERIC CONSTRUCTS BETWEEN CANCER-HOMING PEPTIDES AND CELL-PENETRATING PEPTIDES COUPLED TO ANTICANCER DRUGS AND/OR DIAGNOSTIC AGENT/AGENTS CEPEP III AB (SE) 2011-01-12 EP disclosed
US-20100279918-A1 Chimeric Constructs Between Cancer-Homing Peptides and Cell-Penetrating Peptides Coupled to Anticancer Drugs and/or Diagnostic Agent/Agents BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2010-11-04 US 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-20130011448-A1 SYSTEM FOR IMPROVED DELIVERY OF GENE MODULATING COMPOUNDS PHAX, ABCB1, BCR DHFR 450/4885FOLR1 430/4885SLC19A1 636/4885

“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.