SCHEMBL374472

SCHEMBL374472

Nc1cc(Nc2cccc(Cl)c2)ncn1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 13/20 0.64
ERBB3 P21860 2/20 0.62
HTR3E A5X5Y0 1/20 0.59
HTR3B O95264 1/20 0.59
HTR3A P46098 1/20 0.59
ROCK1 Q13464 1/20 0.59
HTR3D Q70Z44 1/20 0.59
HTR3C Q8WXA8 1/20 0.59
SCN9A Q15858 1/20 0.57
TNNI3K Q59H18 1/20 0.57
ERBB2 P04626 1/20 0.54
TTBK1 Q5TCY1 1/20 0.51
TTBK2 Q6IQ55 1/20 0.51
ABL1 P00519 3/20 0.50
SRC P12931 2/20 0.50
FADS1 O60427 1/20 0.50
PRKCA P17252 1/20 0.50
LCK P06239 1/20 0.49
CDK1 P06493 1/20 0.49
CCNB1 P14635 1/20 0.49

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
SCHEMBL3952295 0.85 EGFR (0.66) EGFRERBB3HTR3EHTR3BHTR3A
Hydrochloric Acid SCHEMBL2173883 0.83 EGFR (0.64) EGFRERBB3HTR3EHTR3BHTR3A
SCHEMBL374148 0.82 EGFR (0.71) EGFRERBB3HTR3EHTR3BHTR3A
SCHEMBL3431925 0.80 CDK1 (0.60) EGFRERBB3ROCK1SCN9ATNNI3K
SCHEMBL8798667 0.80 EGFR (0.61) EGFRTNNI3KERBB2ABL1CDK1
SCHEMBL2175165 0.78 EGFR (1.00) EGFRERBB3HTR3EHTR3BHTR3A
SCHEMBL7771255 0.78 EGFR (0.62) EGFRERBB3HTR3EHTR3BHTR3A
SCHEMBL3957924 0.78 EGFR (0.72) EGFRERBB3HTR3EHTR3BHTR3A
SCHEMBL1095277 0.78 MAPK1 (0.61) EGFRERBB3SCN9AERBB2CDK1
SCHEMBL374798 0.77 MEN1 (0.66) EGFRERBB3TNNI3KMAPT

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 EGFR 397/4885ERBB3 134/4885HTR3E 4013/4885
US-20130012704-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS MAP3K20, MAP3K1, CDK1 EGFR 397/4885ERBB3 134/4885HTR3E 4013/4885
US-20090137804-A1 Compounds and Compositions as Protein Kinase Inhibitors MAP3K20, MAP3K1, CDK1 EGFR 397/4885ERBB3 134/4885HTR3E 4013/4885

“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.