SCHEMBL7615918

SCHEMBL7615918

COC(=O)c1ccc(NCCSc2c(N)nc(N)[nH]c2=O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GART P22102 5/20 0.45
POLB P06746 1/20 0.44
TP53 P04637 1/20 0.41
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
HPGD P15428 2/20 0.40
LMNA P02545 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
KDM4E B2RXH2 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
FOLR1 P15328 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
USP2 O75604 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
TYMS P04818 1/20 0.38

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
SCHEMBL7608597 0.85 GART (0.47) GARTTP53KMT2AMEN1HPGD
SCHEMBL7615824 0.84 GART (0.61) GARTTP53ALDH1A1MAPTFOLR1
SCHEMBL7609490 0.77 GART (0.55) GARTFOLR1
SCHEMBL7615531 0.73 FOLR1 (0.64) GARTFOLR1
SCHEMBL7608106 0.71 GART (0.50) GARTMAPTKDM4EFOLR1TYMS
SCHEMBL9688625 0.68 GART (0.55) GART
SCHEMBL27680998 0.68 KDM4E (0.63) POLBKMT2AMEN1HPGDALDH1A1
SCHEMBL7609173 0.68 POLB (0.60) POLBKMT2AMEN1HPGDLMNA
SCHEMBL21659729 0.67 POLB (0.68) POLBKMT2AMEN1HPGDLMNA
SCHEMBL7616691 0.67 POLB (0.68) POLBKMT2AMEN1HPGDLMNA

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 1/4885POLB 1328/4885TP53 1784/4885
US-20020173515-A1 Antiproliferative substituted 5-thiapyrimidinone and 5-selenopyrimidinone compounds GART, GARS1, NUDT1 GART 1/4885POLB 1328/4885TP53 1784/4885

“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.