SCHEMBL374140

SCHEMBL374140

FC(F)(F)c1cccc(Nc2cc(Cl)ncn2)c1

nearest known ligand 0.70

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.70
EGFR P00533 6/20 0.56
ERBB4 Q15303 1/20 0.56
AURKA O14965 2/20 0.55
KDM4E B2RXH2 2/20 0.53
ABCG2 Q9UNQ0 1/20 0.52
TSHR P16473 1/20 0.51
HTT P42858 1/20 0.51
ABL1 P00519 1/20 0.51
BCR P11274 1/20 0.51
IDH2 P48735 2/20 0.50
GAA P10253 1/20 0.49
KIF11 P52732 1/20 0.49
CTSC P53634 2/20 0.48
TNNI3K Q59H18 1/20 0.48

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 0.89 THRB (0.80) THRBEGFRERBB4AURKAKDM4E
SCHEMBL2285824 0.83 ABL1 (0.61) THRBEGFRABL1BCRTNNI3K
SCHEMBL13778007 0.82 THRB (1.00) THRBEGFRERBB4AURKAKDM4E
SCHEMBL374332 0.82 THRB (0.74) THRBEGFRERBB4AURKAKDM4E
SCHEMBL19420148 0.82 THRB (0.70) THRBEGFRERBB4AURKAKDM4E
SCHEMBL4239042 0.81 THRB (0.68) THRBEGFRERBB4AURKAKDM4E
SCHEMBL2279563 0.80 MEN1 (0.56) EGFRKDM4EABCG2HTTABL1
SCHEMBL3952295 0.80 EGFR (0.66) EGFRKDM4EHTTTNNI3K
SCHEMBL31749725 0.79 EGFR (0.46) THRBEGFRERBB4ABL1BCR
SCHEMBL30141460 0.79 THRB (0.65) 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 15 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-20090181991-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC 2009-07-16 US disclosed
US-20090181991-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC 2009-07-16 US disclosed
US-20090137804-A1 Compounds and Compositions as Protein Kinase Inhibitors NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2009-05-28 US disclosed
CN-101300234-A Compounds and compositions for protein kinase inhbitors IRM LLC (BM) 2008-11-05 CN 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 (4 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-20090181991-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS ERBB2, BMX, ERBB3 THRB 461/4885EGFR 42/4885ERBB4 19/4885
US-20130012476-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS MAP3K20, MAP3K1, CDK1 THRB 1705/4885EGFR 397/4885ERBB4 292/4885
US-20130012704-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS MAP3K20, MAP3K1, CDK1 THRB 1705/4885EGFR 397/4885ERBB4 292/4885
US-20090137804-A1 Compounds and Compositions as Protein Kinase Inhibitors MAP3K20, MAP3K1, CDK1 THRB 1705/4885EGFR 397/4885ERBB4 292/4885

“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.