SCHEMBL374263

SCHEMBL374263

Nc1cc(Nc2ccc(OCCN3CCCC3)cc2)ncn1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 4/20 0.52
PTGS1 P23219 1/20 0.52
PTGS2 P35354 1/20 0.52
SCN9A Q15858 1/20 0.52
CYP3A4 P08684 1/20 0.52
FGFR3 P22607 1/20 0.52
HRH2 P25021 1/20 0.51
HRH3 Q9Y5N1 1/20 0.51
AXL P30530 9/20 0.51
INSR P06213 3/20 0.51
BACE1 P56817 8/20 0.50

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
SCHEMBL374664 0.90 SRC (0.50) LTA4HSCN9ACYP3A4FGFR3AXL
SCHEMBL4764873 0.89 ABL1 (0.57) LTA4HSCN9ACYP3A4BACE1
SCHEMBL374814 0.86 CYP3A4 (0.53) LTA4HCYP3A4FGFR3HRH2HRH3
SCHEMBL374259 0.84 CYP3A4 (0.51) LTA4HCYP3A4FGFR3HRH2HRH3
SCHEMBL22838451 0.80 LTA4H (0.56) LTA4HPTGS1PTGS2HRH3
SCHEMBL374753 0.78 SRC (0.50) LTA4HCYP3A4FGFR3AXLBACE1
SCHEMBL2498482 0.77 BACE1 (0.63) LTA4HPTGS1PTGS2AXLINSR
SCHEMBL4947033 0.76 ABL1 (0.59) LTA4HCYP3A4HRH3
SCHEMBL11877770 0.76 HRH3 (0.83) LTA4HHRH2HRH3
SCHEMBL4254804 0.75 AXL (0.64) LTA4HPTGS2HRH2HRH3AXL

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-20130012704-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS DING QIANG (CN) 2013-01-10 US disclosed
US-20130012476-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 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 LTA4H 3148/4885PTGS1 1112/4885PTGS2 2220/4885
US-20130012704-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS MAP3K20, MAP3K1, CDK1 LTA4H 3148/4885PTGS1 1112/4885PTGS2 2220/4885
US-20090137804-A1 Compounds and Compositions as Protein Kinase Inhibitors MAP3K20, MAP3K1, CDK1 LTA4H 3148/4885PTGS1 1112/4885PTGS2 2220/4885

“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.