SCHEMBL374476

SCHEMBL374476

CNc1cc(Nc2ccc(F)cc2F)ncn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.50
ALDH1A1 P00352 2/20 0.50
KDM4E B2RXH2 1/20 0.50
NPC1 O15118 1/20 0.50
NFKB1 P19838 1/20 0.50
RAB9A P51151 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
CDK4 P11802 1/20 0.50
CDK2 P24941 1/20 0.50
FGFR1 P11362 1/20 0.46
FLT1 P17948 1/20 0.46
KDR P35968 1/20 0.46
EGFR P00533 1/20 0.44
ERBB3 P21860 1/20 0.44
MAPK1 P28482 1/20 0.43
TNNI3K Q59H18 3/20 0.42
CLK1 P49759 1/20 0.42
MAPK14 Q16539 5/20 0.41

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
SCHEMBL373960 0.78 EGFR (0.57) ALDH1A1NPC1RAB9ASMN1; SMN2EGFR
SCHEMBL14659512 0.73 FGFR4 (0.43) GAAKDM4ESMN1; SMN2FGFR1EGFR
SCHEMBL306848 0.72 HTT (0.50) GAAALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL5563364 0.72 CYP1A2 (0.50) ALDH1A1NPC1RAB9AKDREGFR
SCHEMBL4949923 0.71 LTA4H (0.49) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL374487 0.71 TNNI3K (0.40) ALDH1A1NPC1RAB9AEGFRERBB3
SCHEMBL28120173 0.70 MEN1 (0.58) GAAALDH1A1KDM4ENPC1NFKB1
SCHEMBL1095880 0.69 KDR (0.52) CDK4CDK2FGFR1FLT1KDR
SCHEMBL26186347 0.69 MAPK10 (0.45) GAAALDH1A1KDM4ENPC1NFKB1
SCHEMBL26186655 0.69 MAPK10 (0.45) GAAALDH1A1KDM4ENPC1NFKB1

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
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
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 GAA 1213/4885ALDH1A1 4285/4885KDM4E 1074/4885
US-20130012704-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS MAP3K20, MAP3K1, CDK1 GAA 1213/4885ALDH1A1 4285/4885KDM4E 1074/4885
US-20090137804-A1 Compounds and Compositions as Protein Kinase Inhibitors MAP3K20, MAP3K1, CDK1 GAA 1213/4885ALDH1A1 4285/4885KDM4E 1074/4885

“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.