SCHEMBL374259

SCHEMBL374259

CCNc1cc(Nc2ccc(OCCN3CCCC3)cc2)ncn1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.51
FGFR3 P22607 1/20 0.51
ABL1 P00519 2/20 0.49
BCR P11274 2/20 0.49
LTA4H P09960 5/20 0.49
HRH3 Q9Y5N1 2/20 0.48
HRH2 P25021 1/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
ALDH1A1 P00352 1/20 0.46
KDM4E B2RXH2 2/20 0.46
SRC P12931 2/20 0.46
EGFR P00533 1/20 0.45
CD274 Q9NZQ7 1/20 0.45
PSMB1 P20618 2/20 0.45
PSMB5 P28074 2/20 0.45
PSMB2 P49721 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
SCHEMBL374814 0.88 CYP3A4 (0.53) CYP3A4FGFR3LTA4HHRH3HRH2
SCHEMBL374263 0.84 LTA4H (0.52) CYP3A4FGFR3LTA4HHRH3HRH2
SCHEMBL374753 0.80 SRC (0.50) CYP3A4FGFR3ABL1BCRLTA4H
SCHEMBL4947033 0.78 ABL1 (0.59) CYP3A4ABL1BCRLTA4HHRH3
SCHEMBL374664 0.78 SRC (0.50) CYP3A4FGFR3LTA4HMEN1KMT2A
SCHEMBL12486513 0.77 MEN1 (0.79) MEN1KMT2AALDH1A1EGFR
SCHEMBL11880228 0.76 KDM4E (0.70) LTA4HHRH3HRH2ALDH1A1KDM4E
SCHEMBL374272 0.74 SRC (0.51) ABL1BCRHRH3HRH2MEN1
SCHEMBL4764873 0.74 ABL1 (0.57) CYP3A4ABL1BCRLTA4HALDH1A1
SCHEMBL11876046 0.74 LTA4H (0.71) LTA4HHRH3HRH2KDM4EPSMB1

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 CYP3A4 2987/4885FGFR3 1045/4885ABL1 18/4885
US-20130012704-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS MAP3K20, MAP3K1, CDK1 CYP3A4 2987/4885FGFR3 1045/4885ABL1 18/4885
US-20090137804-A1 Compounds and Compositions as Protein Kinase Inhibitors MAP3K20, MAP3K1, CDK1 CYP3A4 2987/4885FGFR3 1045/4885ABL1 18/4885

“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.