SCHEMBL374500

SCHEMBL374500

CNc1cc(Nc2ccc(CN(C)C)c(C(F)(F)F)c2)ncn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.47
CYP2D6 P10635 2/20 0.47
ALDH1A1 P00352 1/20 0.47
HSD17B10 Q99714 1/20 0.47
LMNA P02545 1/20 0.44
CYP3A4 P08684 1/20 0.43
CDK4 P11802 5/20 0.42
TNNI3K Q59H18 3/20 0.42
MKNK2 Q9HBH9 3/20 0.42
RET P07949 3/20 0.42
RAF1 P04049 3/20 0.42
MKNK1 Q9BUB5 2/20 0.42
CDK8 P49336 2/20 0.42
MAP3K7 O43318 2/20 0.42
FES P07332 2/20 0.42
HCK P08631 2/20 0.42
FER P16591 2/20 0.42
MAP4K2 Q12851 2/20 0.42
MAPK14 Q16539 2/20 0.42
CDK2 P24941 2/20 0.42

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
SCHEMBL374483 0.89 CDK5 (0.46) CYP1A2CYP2D6ALDH1A1HSD17B10LMNA
SCHEMBL374779 0.76 FGFR3 (0.55) CYP1A2CYP3A4RETKDRJAK2
SCHEMBL374274 0.74 TNNI3K (0.53) CYP1A2CYP2D6ALDH1A1HSD17B10LMNA
SCHEMBL27700561 0.72 CDK5 (0.45) CYP1A2CYP2D6ALDH1A1HSD17B10LMNA
SCHEMBL374501 0.71 FGFR3 (0.72) CYP1A2CYP3A4RETKDRJAK2
SCHEMBL374155 0.70 ABL1 (0.62) CYP1A2CYP3A4TNNI3KABL1EGFR
SCHEMBL374332 0.70 THRB (0.74) TNNI3KRAF1MAPK14KDRAURKA
SCHEMBL373960 0.69 EGFR (0.57) CYP1A2CYP2D6ALDH1A1HSD17B10LMNA
SCHEMBL28031727 0.68 EPHX2 (0.49) CYP3A4MKNK2RETMKNK1CDK8
SCHEMBL29638488 0.68 SYK (0.39) CDK8SYKCCNC

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-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
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 CYP1A2 2591/4885CYP2D6 2846/4885ALDH1A1 4285/4885
US-20130012704-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS MAP3K20, MAP3K1, CDK1 CYP1A2 2591/4885CYP2D6 2846/4885ALDH1A1 4285/4885
US-20090137804-A1 Compounds and Compositions as Protein Kinase Inhibitors MAP3K20, MAP3K1, CDK1 CYP1A2 2591/4885CYP2D6 2846/4885ALDH1A1 4285/4885

“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.