SCHEMBL7606988

SCHEMBL7606988

Nc1nc(N)c(SCCCc2ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc2)c(=O)[nH]1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GART P22102 18/20 1.00
ATIC P31939 3/20 0.74
FOLR1 P15328 7/20 0.73
FOLR2 P14207 3/20 0.65
SLC46A1 Q96NT5 2/20 0.65
SLC19A1 P41440 1/20 0.65
SHMT1 P34896 1/20 0.62
SHMT2 P34897 1/20 0.62

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
SCHEMBL7614066 0.95 GART (1.00) GARTATICFOLR1FOLR2SLC46A1
SCHEMBL7615527 0.88 GART (0.81) GARTATICFOLR1FOLR2SLC46A1
SCHEMBL7609677 0.86 GART (0.77) GARTATICFOLR1
Dideazaacyclotetrahydrofolic Acid SCHEMBL14469101 0.85 GART (1.00) GARTATICFOLR1FOLR2SLC46A1
SCHEMBL7607137 0.84 GART (1.00) GARTATICFOLR1FOLR2SLC46A1
SCHEMBL9794844 0.84 GART (1.00) GARTATICFOLR1FOLR2SLC46A1
SCHEMBL7607120 0.83 GART (0.71) GARTATICFOLR1
SCHEMBL7609762 0.80 GART (0.66) GARTATICFOLR1
SCHEMBL29497776 0.80 GART (1.00) GARTATICFOLR1FOLR2SLC46A1
SCHEMBL19035904 0.79 GART (0.78) GARTATICFOLR1FOLR2SLC46A1

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-20020173515-A1 Antiproliferative substituted 5-thiapyrimidinone and 5-selenopyrimidinone compounds VARNEY MICHAEL D (US) 2002-11-21 US disclosed
US-6323210-B2 TRANSFERASE INHIBITOR AGOURON PHARMACEUTICALS, INC. 2001-11-27 US disclosed
US-20010018443-A1 Antiproliferative substituted 5-thiapyrimidinone and 5-selenopyrimidinone compounds VARNEY MICHAEL D (US) 2001-08-30 US disclosed
US-6207670-B1 USE TO INHIBIT GROWTH AND PROLIFERATION OF CELLS OF HIGHER ORGANISMS AND MICROORGANISMS SUCH AS BACTERIA, YEAST AND FUNGI AGOURON PHARMACEUTICALS, INC. 2001-03-27 US disclosed
EP-0674516-B1 ANTIPROLIFERATIVE SUBSTITUTED 5-THIAPYRIMIDINONE AND 5-SELENOPYRIMIDINONE COMPOUNDS AGOURON PHARMA (US) 2000-02-02 EP disclosed
US-5945427-A INHIBIT GROWTH AND PROLIFERATION OF CELLS OF HIGHER ORGANISMS AND MICRORGANISMS SUCH AS FUNGI, BACTERIA AND YEASTS; TREATMENT FOR TUMORS, INFLAMMATION, PSORIASIS; IMMUNOSUPPRESSIVE ACTIVITY AGOURON PHARMACEUTICALS, INC. (US) 1999-08-31 US disclosed
US-5739141-A Antiproliferative substituted 5-thiapyrimidinone and 5-selenopyrimidinone compounds AGOURON PHARMACEUTICALS, INC. (US) 1998-04-14 US disclosed
US-5726312-A Methods for preparing antiproliferative 5-substituted pyrimidone compounds AGOURON PHARMACEUTICALS, INC. (US) 1998-03-10 US disclosed
EP-0674516-A4 1995-10-25 EP disclosed
EP-0674516-A1 ANTIPROLIFERATIVE SUBSTITUTED 5-THIAPYRIMIDINONE AND 5-SELENOPYRIMIDINONE COMPOUNDS AGOURON PHARMACEUTICALS, INC. (US) 1995-10-04 EP disclosed
WO-1994013295-A1 ANTIPROLIFERATIVE SUBSTITUTED 5-THIAPYRIMIDINONE AND 5-SELENOPYRIMIDINONE COMPOUNDS AGOURON PHARMACEUTICALS, INC. (US) 1994-06-23 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-20010018443-A1 Antiproliferative substituted 5-thiapyrimidinone and 5-selenopyrimidinone compounds GART, GARS1, NUDT1 GART 1/4885ATIC 149/4885FOLR1 586/4885
US-20020173515-A1 Antiproliferative substituted 5-thiapyrimidinone and 5-selenopyrimidinone compounds GART, GARS1, NUDT1 GART 1/4885ATIC 149/4885FOLR1 586/4885

“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.