SCHEMBL4172709

SCHEMBL4172709

O=c1[nH]c(=O)n(Cc2ccccc2)cc1I

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.67
KMT2A Q03164 2/20 0.54
MEN1 O00255 1/20 0.54
DAO P14920 2/20 0.50
CYP1A2 P05177 1/20 0.50
GRIA1 P42261 1/20 0.50
GRIA2 P42262 1/20 0.50
GRIA4 P48058 1/20 0.50
BLM P54132 1/20 0.50
GRIK5 Q16478 1/20 0.50
HSD17B10 Q99714 1/20 0.50
MAPK1 P28482 1/20 0.47
TYMP P19971 1/20 0.46
TK1 P04183 1/20 0.45

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
SCHEMBL4176930 0.84 TYMP (0.48) HPGDKMT2AMEN1DAOCYP1A2
SCHEMBL12169429 0.84 HPGD (0.59) HPGDMAPK1
SCHEMBL7839293 0.81 TYMP (0.52) HPGDKMT2AMEN1DAOTYMP
SCHEMBL4172004 0.80 HPGD (0.44) HPGDKMT2AMEN1DAOCYP1A2
SCHEMBL24495513 0.80 DAO (0.72) HPGDKMT2AMEN1DAOMAPK1
SCHEMBL1717207 0.80 MEN1 (0.78) HPGDKMT2AMEN1DAOCYP1A2
SCHEMBL5115615 0.80 HPGD (0.67) HPGDKMT2AMEN1DAOCYP1A2
SCHEMBL3996660 0.80 HPGD (1.00) HPGDMAPK1TK1
SCHEMBL4163074 0.79 L3MBTL1 (0.50) HPGDDAO
SCHEMBL7821405 0.79 HPGD (0.69) HPGDKMT2AMEN1DAOMAPK1

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
CN-113387895-B Synthesis method of nitric acid catalyzed 5-iodopyrimidine derivative 新乡学院 2023-03-14 CN disclosed
CN-113387895-A Synthesis method of nitric acid catalyzed 5-iodopyrimidine derivative 新乡学院 2021-09-14 CN disclosed
US-20090149485-A1 PYRIMIDINEDIONES AS TYROSINE KINASE INHIBITORS JUBILANT BIOSYS LIMITED (IN) 2009-06-11 US disclosed
US-7501429-B2 Pyrimidine compounds as anti-ictogenic and/or anti-epileptogenic agents QUEEN'S UNIVERSITY AT KINGSTON (CA) 2009-03-10 US disclosed
US-7501429-B2 Pyrimidine compounds as anti-ictogenic and/or anti-epileptogenic agents QUEEN'S UNIVERSITY AT KINGSTON (CA) 2009-03-10 US disclosed
US-7501429-B2 Pyrimidine compounds as anti-ictogenic and/or anti-epileptogenic agents QUEEN'S UNIVERSITY AT KINGSTON (CA) 2009-03-10 US disclosed
WO-2007122634-A2 PYRIMIDINEDIONES AS TYROSINE KINASE INHIBITORS JUBILANT BIOSYS LIMITED (IN) 2007-11-01 WO disclosed
WO-2006070292-A2 PYRIMIDINE COMPOUNDS AS ANTI-ICTOGENIC AND/OR ANTI-EPILEPTOGENIC AGENTS QUEEN'S UNIVERSITY AT KINGSTON (US) 2006-07-06 WO disclosed
EP-1385831-A2 PYRIMIDINE COMPOUNDS AS ANTI-ICTOGENIC AND/OR ANTI-EPILEPTOGENIC AGENTS QUEEN'S UNIVERSITY AT KINGSTON (CA) 2004-02-04 EP disclosed
US-20030153584-A1 Pyrimidine compounds as anti-ictogenic and/or anti-epileptogenic agents QUEEN'S UNIVERSITY (CA) 2003-08-14 US disclosed
WO-2002083651-A2 PYRIMIDINE COMPOUNDS AS ANTI-ICTOGENIC AND/OR ANTI-EPILEPTOGENIC AGENTS QUEEN'S UNIVERSITY AT KINGSTON (CA) 2002-10-24 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-20090149485-A1 PYRIMIDINEDIONES AS TYROSINE KINASE INHIBITORS TK1, LCK, FYN HPGD 1010/4885KMT2A 2499/4885MEN1 2840/4885
US-20030153584-A1 Pyrimidine compounds as anti-ictogenic and/or anti-epileptogenic agents NUDT1, DPYD, TYMP HPGD 459/4885KMT2A 1914/4885MEN1 1024/4885

“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.