Lometrexol

Lometrexol

SCHEMBL14365

Nc1nc2c(c(=O)[nH]1)C[C@@H](CCc1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1)CN2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GART P22102 9/20 1.00
ATIC P31939 4/20 0.71
SOST Q9BQB4 1/20 0.60
MTHFD2 P13995 2/20 0.58
MTHFD1 P11586 1/20 0.58

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
Lometrexol SCHEMBL10067961 1.00 GART (1.00) GARTATICSOSTMTHFD2MTHFD1
Lometrexol SCHEMBL14469100 1.00 GART (1.00) GARTATICSOSTMTHFD2MTHFD1
Lometrexol SCHEMBL17520098 1.00 GART (1.00) GARTATICSOSTMTHFD2MTHFD1
Lometrexol SCHEMBL18530 0.88 GART (0.78) GARTATIC
SCHEMBL10512730 0.87 GART (0.78) GARTATICSOSTMTHFD1
SCHEMBL10512772 0.87 GART (0.78) GARTATICSOSTMTHFD1
Lometrexol SCHEMBL29356838 0.87 GART (0.77) GARTATICSOST
SCHEMBL9837105 0.87 GART (0.77) GARTATICSOSTMTHFD2MTHFD1
Lometrexol SCHEMBL21248426 0.87 GART (0.77) GARTATIC
SCHEMBL9536119 0.87 GART (0.77) GARTATIC

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
US-20230390297-A1 USE OF NUCLEOTIDE SYNTHESIS INHIBITORS FOR TARGETED THERAPY IN MLL3/4 COMPASS MUTANT CANCER NORTHWESTERN UNIVERSITY 2023-12-07 US disclosed
WO-2017031176-A1 MONOCYCLIC, THIENO, PYRIDO, AND PYRROLO PYRIMIDINE COMPOUNDS AND METHODS OF USE AND MANUFACTURE OF THE SAME DUQUESNE UNIVERSITY OF THE HOLY SPIRIT (US) 2017-02-23 WO disclosed
US-8530653-B2 Enzyme inhibiting compounds CHELSEA THERAPEUTICS, INC. (US) 2013-09-10 US disclosed
US-8530653-B2 Enzyme inhibiting compounds CHELSEA THERAPEUTICS, INC. (US) 2013-09-10 US disclosed
US-20110112126-A1 ENZYME INHIBITING COMPOUNDS CHELSEA THERAPEUTICS, INC. 2011-05-12 US disclosed
US-20110112126-A1 ENZYME INHIBITING COMPOUNDS CHELSEA THERAPEUTICS, INC. 2011-05-12 US disclosed
WO-2011056957-A2 ENZYME INHIBITING COMPOUNDS CHELSEA THERAPEUTICS, INC. (US) 2011-05-12 WO disclosed
US-20110081338-A1 METABOLICALLY INERT ANTIFOLATES FOR TREATING DISORDERS OF ABNORMAL CELLULAR PROLIFERATION AND INFLAMMATION CHELSEA THERAPEUTICS, INC. 2011-04-07 US disclosed
US-20110082149-A1 METABOLICALLY INERT ANTIFOLATES FOR TREATING DISORDERS OF ABNORMAL CELLULAR PROLIFERATION AND INFLAMMATION CHELSEA THERAPEUTICS, INC. 2011-04-07 US disclosed
US-7829708-B2 Metabolically inert antifolates for treating disorders of abnormal cellular proliferation and inflammation CHELSEA THERAPEUTICS, INC. (US) 2010-11-09 US disclosed
US-7829708-B2 Metabolically inert antifolates for treating disorders of abnormal cellular proliferation and inflammation CHELSEA THERAPEUTICS, INC. (US) 2010-11-09 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 (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-20110081338-A1 METABOLICALLY INERT ANTIFOLATES FOR TREATING DISORDERS OF ABNORMAL CELLULAR PROLIFERATION AND INFLAMMATION DHFR, MTHFD1, MTHFD2 GART 403/4885ATIC 421/4885SOST 2483/4885
US-20110082149-A1 METABOLICALLY INERT ANTIFOLATES FOR TREATING DISORDERS OF ABNORMAL CELLULAR PROLIFERATION AND INFLAMMATION DHFR, MTHFD1, MTHFD2 GART 403/4885ATIC 421/4885SOST 2483/4885
US-20110112126-A1 ENZYME INHIBITING COMPOUNDS FPGS, DHFR, TYMS GART 19/4885ATIC 150/4885SOST 4364/4885

“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.