SCHEMBL374403

SCHEMBL374403

CNc1ncnc(Nc2ccc(N3CCN(C)CC3)cc2)n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 1/20 0.56
EGFR P00533 4/20 0.54
CDK2 P24941 3/20 0.52
JAK2 O60674 3/20 0.52
CCNE1 P24864 2/20 0.52
JAK3 P52333 2/20 0.52
MAP4K1 Q92918 1/20 0.52
CDK4 P11802 4/20 0.51
CCND3 P30281 3/20 0.51
CCNA2 P20248 2/20 0.51
CCND1 P24385 2/20 0.51
CCND2 P30279 2/20 0.51
AURKA O14965 2/20 0.51
CDK1 P06493 2/20 0.51
CCNK O75909 1/20 0.51
CDK9 P50750 1/20 0.51
CDK6 Q00534 1/20 0.51
CCNB2 O95067 1/20 0.51
CCNE2 O96020 1/20 0.51
FGFR1 P11362 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
SCHEMBL374566 0.85 CDK9 (0.53) ALKCDK2JAK2JAK3CCND3
SCHEMBL374559 0.85 WEE1 (0.48) ALKEGFRCDK2CCNE1JAK3
SCHEMBL12278146 0.79 BRD4 (0.68) ALKEGFRCDK2JAK2CCND3
SCHEMBL12065029 0.78 ALK (0.63) ALKEGFRCDK2CCND3CCNA2
SCHEMBL4078840 0.78 EGFR (0.60) ALKEGFRCDK2JAK2CCNE1
SCHEMBL27020409 0.78 EGFR (0.64) ALKEGFRCDK2JAK2CCNE1
SCHEMBL374385 0.78 EGFR (0.64) EGFRCDK2JAK2JAK3FGFR3
SCHEMBL12325149 0.77 BRD4 (0.64) ALKEGFRCDK2JAK2CCNE1
SCHEMBL30306480 0.77 EGFR (0.60) ALKEGFRCDK2JAK2CCNE1
SCHEMBL23704663 0.76 ALK (0.74) ALKEGFRCDK2JAK2JAK3

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 ALK 680/4885EGFR 397/4885CDK2 27/4885
US-20130012704-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS MAP3K20, MAP3K1, CDK1 ALK 680/4885EGFR 397/4885CDK2 27/4885
US-20090137804-A1 Compounds and Compositions as Protein Kinase Inhibitors MAP3K20, MAP3K1, CDK1 ALK 680/4885EGFR 397/4885CDK2 27/4885

“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.