SCHEMBL374457

SCHEMBL374457

COc1cc(NC(=O)c2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc(NC(=O)N(C)c2cc(N)ncn2)c1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DDR1 Q08345 2/20 0.53
EGFR P00533 3/20 0.52
BRAF P15056 3/20 0.52
KIT P10721 5/20 0.52
HCK P08631 1/20 0.51
NR2C2 P49116 1/20 0.51
SRC P12931 5/20 0.50
RET P07949 1/20 0.50
MAPT P10636 1/20 0.50
FGFR1 P11362 1/20 0.49
KDR P35968 1/20 0.49
FGFR3 P22607 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
SCHEMBL374362 0.90 FGFR3 (0.57) DDR1EGFRBRAFKITRET
SCHEMBL15419423 0.87 DDR1 (0.48) DDR1EGFRBRAFKITRET
SCHEMBL374116 0.86 BRAF (0.66) EGFRBRAFKIT
SCHEMBL3387981 0.85 MAP3K7 (0.56) DDR1EGFRBRAFSRCRET
SCHEMBL374321 0.84 BRAF (0.70) EGFRBRAFKIT
Benzene SCHEMBL15419424 0.84 KIT (0.51) DDR1EGFRBRAFKITRET
SCHEMBL3387001 0.79 MAP3K7 (0.64) DDR1SRCMAPT
SCHEMBL374512 0.78 BRAF (0.61) EGFRBRAFKIT
SCHEMBL374383 0.78 FGFR3 (0.57) EGFRBRAFKITSRCRET
SCHEMBL374440 0.78 FGFR3 (0.74) BRAFKITSRCRETFGFR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2409969-B1 Pyrimidine urea derivatives as kinase inhibitors NOVARTIS AG (CH) 2013-07-24 EP claimed
EP-2409969-A1 Pyrimidine urea derivatives as kinase inhibitors Novartis AG (CH) 2012-01-25 EP claimed
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
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
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
US-20090137804-A1 Compounds and Compositions as Protein Kinase Inhibitors NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2009-05-28 US 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 DDR1 1017/4885EGFR 397/4885BRAF 29/4885
US-20130012704-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS MAP3K20, MAP3K1, CDK1 DDR1 1017/4885EGFR 397/4885BRAF 29/4885
US-20090137804-A1 Compounds and Compositions as Protein Kinase Inhibitors MAP3K20, MAP3K1, CDK1 DDR1 1017/4885EGFR 397/4885BRAF 29/4885

“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.