SCHEMBL374359

SCHEMBL374359

COc1ccc(Cl)c(N=C=O)c1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.42
TDP1 Q9NUW8 2/20 0.42
HPGD P15428 2/20 0.42
CYP3A4 P08684 2/20 0.42
MAPK1 P28482 3/20 0.39
GABRA1 P14867 1/20 0.39
GABRB2 P47870 1/20 0.39
LMNA P02545 1/20 0.36
CLCN2 P51788 1/20 0.36
MAPT P10636 3/20 0.36
NPSR1 Q6W5P4 2/20 0.36
KDM4E B2RXH2 1/20 0.36
S1PR4 O95977 1/20 0.36
HSP90AA1 P07900 1/20 0.36
G6PD P11413 1/20 0.36
S1PR1 P21453 1/20 0.36
OPRK1 P41145 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
CACNA1B Q00975 1/20 0.36

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
SCHEMBL10964828 0.82 GABRA1 (0.38) ALDH1A1HPGDMAPK1GABRA1GABRB2
SCHEMBL374141 0.79 TDP1 (0.46) ALDH1A1TDP1HPGDCYP3A4MAPK1
SCHEMBL11783399 0.78 MAPK1 (0.48) TDP1CYP3A4MAPK1GABRA1GABRB2
SCHEMBL11754306 0.78 ALDH1A1 (0.43) ALDH1A1TDP1HPGDCYP3A4MAPK1
SCHEMBL20022007 0.74 CYP3A4 (0.41) ALDH1A1TDP1HPGDCYP3A4MAPK1
SCHEMBL3193263 0.73 ABL1 (0.41) ALDH1A1TDP1HPGDMAPK1GABRA1
SCHEMBL10734813 0.73 CLCN2 (0.47) TDP1HPGDMAPK1CLCN2MAPT
SCHEMBL1493105 0.73 TDP1 (0.44) ALDH1A1TDP1HPGDCYP3A4MAPK1
SCHEMBL7303363 0.73 MAPT (0.41) ALDH1A1TDP1HPGDCYP3A4MAPK1
SCHEMBL3548169 0.71 CYP3A4 (0.50) ALDH1A1TDP1HPGDCYP3A4MAPK1

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2418205-B1 Pyrimidine urea derivatives as kinase inhibitors NOVARTIS AG (CH) 2014-01-22 EP disclosed
US-8552002-B2 3-(2,6-Dichloro-3,5-dimethoxy-phenyl)-1-[6-(2,6-dimethyl-pyridin-3-ylamino)-pyrimidin-4-yl]-1-methyl-urea; 3-(2,6-Dichloro-3,5-dimethoxy-phenyl)-1-methyl-1-{6-[4-(4-methyl-piperazin-1-yl)-phenylamino]-pyrimidin-4-yl}-urea NOVARTIS AG (CH) 2013-10-08 US disclosed
EP-2409969-B1 Pyrimidine urea derivatives as kinase inhibitors NOVARTIS AG (CH) 2013-07-24 EP disclosed
US-20130012476-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2013-01-10 US disclosed
US-20130012704-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS DING QIANG (CN) 2013-01-10 US disclosed
EP-2418205-A1 Pyrimidine urea derivatives as kinase inhibitors Novartis AG (CH) 2012-02-15 EP disclosed
EP-2409969-A1 Pyrimidine urea derivatives as kinase inhibitors Novartis AG (CH) 2012-01-25 EP disclosed
EP-1761505-B1 PYRIMIDINE UREA DERIVATIVES AS KINASE INHIBITORS NOVARTIS AG (CH) 2011-08-17 EP disclosed
US-20090137804-A1 Compounds and Compositions as Protein Kinase Inhibitors NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2009-05-28 US disclosed
CN-101035769-A Pyrimidine urea derivatives as kinase inhibitors NOVARTIS AG (CH) 2007-09-12 CN disclosed
EP-1761505-A1 PYRIMIDINE UREA DERIVATIVES AS KINASE INHIBITORS Novartis AG (CH) 2007-03-14 EP disclosed
WO-2006000420-A1 PYRIMIDINE UREA DERIVATIVES AS KINASE INHIBITORS NOVARTIS AG (CH) 2006-01-05 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 (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-20130012476-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS MAP3K20, MAP3K1, CDK1 ALDH1A1 4285/4885TDP1 915/4885HPGD 2796/4885
US-20130012704-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS MAP3K20, MAP3K1, CDK1 ALDH1A1 4285/4885TDP1 915/4885HPGD 2796/4885
US-20090137804-A1 Compounds and Compositions as Protein Kinase Inhibitors MAP3K20, MAP3K1, CDK1 ALDH1A1 4285/4885TDP1 915/4885HPGD 2796/4885

“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.