SCHEMBL7167384

SCHEMBL7167384

Nc1nc(N)c(Br)c(=O)[nH]1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 1/20 0.54
CDK4 P11802 1/20 0.54
CDK2 P24941 1/20 0.54
XDH P47989 1/20 0.53
PNP P00491 3/20 0.48
TYMP P19971 1/20 0.44
MAPT P10636 2/20 0.43
MITF O75030 1/20 0.42
TP53 P04637 1/20 0.42
THRB P10828 1/20 0.42
ALOX15 P16050 1/20 0.42
HBB P68871 1/20 0.42
HIF1A Q16665 1/20 0.42
CSNK2A2 P19784 1/20 0.41
CSNK2B P67870 1/20 0.41
CSNK2A1 P68400 1/20 0.41
QTRT1 Q9BXR0 1/20 0.41
TYMS P04818 4/20 0.41
TSHR P16473 1/20 0.40
RECQL P46063 1/20 0.40

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
SCHEMBL1687020 0.79 XDH (0.49) CDK1CDK4CDK2XDHPNP
SCHEMBL1271646 0.77 CDK1 (0.56) CDK1CDK4CDK2PNPMAPT
Hydrochloric Acid SCHEMBL12474436 0.75 CDK1 (0.54) CDK1CDK4CDK2PNPMAPT
SCHEMBL15971642 0.74 XDH (0.45) CDK1CDK4CDK2XDHPNP
SCHEMBL17959973 0.74 ALDH1A1 (0.48) CDK1CDK4CDK2XDHPNP
SCHEMBL3180710 0.73 CDK1 (0.52) CDK1CDK4CDK2PNPMAPT
SCHEMBL12956972 0.73 CDK1 (0.52) CDK1CDK4CDK2XDHPNP
SCHEMBL17926747 0.72 XDH (0.42) CDK1CDK4CDK2XDHPNP
Bropirimine SCHEMBL509127 0.71 XDH (1.00) XDHMAPTQTRT1
SCHEMBL29954149 0.70 CDK1 (0.48) CDK1CDK4CDK2PNPMAPT

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6562969-B1 Ricin A-chain is an N-glycosidase that attacks ribosomal RNA at a highly conserved adenine residue. Crystallographic studies show that not only adenine and formycin, but also pterin-based rings can bind in the ricin active site. RESEARCH DEVELOPMENT FOUNDATION 2003-05-13 US disclosed
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
WO-2001073438-A1 RICIN INHIBITORS AND METHODS FOR USE THEREOF RESEARCH DEVELOPMENT FOUNDATION (US) 2001-10-04 WO disclosed
US-20010018443-A1 Antiproliferative substituted 5-thiapyrimidinone and 5-selenopyrimidinone compounds VARNEY MICHAEL D (US) 2001-08-30 US disclosed
EP-0681584-B1 CONDENSED HETEROCYCLIC GLUTAMIC ACID DERIVATIVES AS ANTIPROLIFERATIVE AGENTS AGOURON PHARMA (US) 2001-06-06 EP disclosed
EP-1094066-A2 Condensed heterocyclic glutamic acid derivatives as antiproliferative agents AGOURON PHARMACEUTICALS, INC. (US) 2001-04-25 EP 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-5639749-A INHIBITORS OF GLYCINAMIDE RIBONUCLEOTIDE FORMYL TRANSFERASE; ANTITUMOR AGENTS AGOURON PHARMACEUTICALS, INC. (US) 1997-06-17 US disclosed
US-5625061-A GRAFT=GLYCINAMIDE RIBONCLEOTIDE FORMYL TRANSFERASE AGOURON PHARMACEUTICALS, INC. (US) 1997-04-29 US disclosed
US-5610319-A Compound useful as antiproliferative agents and GARFT inhibitors AGOURON PHARMACEUTICALS, INC. (US) 1997-03-11 US disclosed
US-5594139-A FROM 5-HAL-2,6-DIAMINO-3H-4-OXOPYRIMIDINE AGOURON PHARMACEUTICALS, INC. (US) 1997-01-14 US disclosed
CN-1117295-A Condensed heterocyclic glutamic acid derivatives as antiproliferative agents AGOURON PHARMA (US) 1996-02-21 CN disclosed
EP-0681584-A1 CONDENSED HETEROCYCLIC GLUTAMIC ACID DERIVATIVES AS ANTIPROLIFERATIVE AGENTS AGOURON PHARMACEUTICALS, INC. (US) 1995-11-15 EP 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-1994017076-A1 CONDENSED HETEROCYCLIC GLUTAMIC ACID DERIVATIVES AS ANTIPROLIFERATIVE AGENTS AGOURON PHARMACEUTICALS, INC. (US) 1994-08-04 WO 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 CDK1 872/4885CDK4 780/4885CDK2 765/4885
US-20020173515-A1 Antiproliferative substituted 5-thiapyrimidinone and 5-selenopyrimidinone compounds GART, GARS1, NUDT1 CDK1 872/4885CDK4 780/4885CDK2 765/4885

“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.