SCHEMBL374332

SCHEMBL374332

CNc1cc(Nc2cccc(C(F)(F)F)c2)ncn1

nearest known ligand 0.74

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.74
EGFR P00533 4/20 0.64
IDH2 P48735 1/20 0.60
ERBB4 Q15303 1/20 0.59
TNNI3K Q59H18 8/20 0.57
AURKA O14965 2/20 0.55
KDR P35968 5/20 0.54
MAPK14 Q16539 5/20 0.54
BRAF P15056 3/20 0.54
KDM4E B2RXH2 1/20 0.53
MAPT P10636 1/20 0.53
ABCG2 Q9UNQ0 1/20 0.52
TSHR P16473 1/20 0.51
HTT P42858 1/20 0.51
RAF1 P04049 1/20 0.51

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
SCHEMBL1387447 0.92 THRB (0.80) THRBEGFRIDH2ERBB4TNNI3K
SCHEMBL13778007 0.85 THRB (1.00) THRBEGFRIDH2ERBB4TNNI3K
SCHEMBL4239042 0.84 THRB (0.68) THRBEGFRERBB4TNNI3KAURKA
SCHEMBL374140 0.82 THRB (0.70) THRBEGFRIDH2ERBB4TNNI3K
SCHEMBL19420148 0.82 THRB (0.70) THRBEGFRIDH2ERBB4TNNI3K
SCHEMBL12517871 0.82 TNNI3K (0.85) EGFRTNNI3KMAPT
SCHEMBL7782959 0.80 THRB (0.62) THRBEGFRIDH2ERBB4TNNI3K
SCHEMBL30141460 0.79 THRB (0.65) THRBEGFRIDH2ERBB4TNNI3K
Hydrochloric Acid SCHEMBL7781124 0.79 THRB (0.61) THRBEGFRIDH2ERBB4TNNI3K
SCHEMBL4239038 0.79 AURKA (0.70) THRBEGFRERBB4AURKAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103121972-B As the pyrimidine urea derivatives of kinase inhibitor NOVARTIS AG (CH) 2015-07-29 CN disclosed
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 THRB 1705/4885EGFR 397/4885IDH2 1740/4885
US-20130012704-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS MAP3K20, MAP3K1, CDK1 THRB 1705/4885EGFR 397/4885IDH2 1740/4885
US-20090137804-A1 Compounds and Compositions as Protein Kinase Inhibitors MAP3K20, MAP3K1, CDK1 THRB 1705/4885EGFR 397/4885IDH2 1740/4885

“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.