SCHEMBL374343

SCHEMBL374343

CCN(CC)c1ccc(Nc2cc(N)ncn2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 2/20 0.52
CDK1 P06493 1/20 0.52
CCNB1 P14635 1/20 0.52
CCNA2 P20248 1/20 0.52
CCNE1 P24864 1/20 0.52
CDK2 P24941 1/20 0.52
CDK5R1 Q15078 1/20 0.52
SCN9A Q15858 1/20 0.50
LCK P06239 3/20 0.49
NPC1 O15118 2/20 0.49
ALDH1A1 P00352 2/20 0.44
CYP3A4 P08684 2/20 0.44
MAPK1 P28482 2/20 0.44
PSMD14 O00487 1/20 0.44
TSHR P16473 1/20 0.44
RECQL P46063 1/20 0.44
GFER P55789 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ADRA2A P08913 1/20 0.44

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
SCHEMBL374411 0.85 LCK (0.49) LCKNPC1ALDH1A1CYP3A4MAPK1
SCHEMBL13064955 0.77 CDK5 (0.61) CDK5CDK1CCNB1CCNA2CCNE1
SCHEMBL15127733 0.75 ADRA2A (0.47) CDK5LCKNPC1ALDH1A1CYP3A4
SCHEMBL5161624 0.74 CYP3A4 (0.51) CDK5CDK1CCNB1CCNA2CCNE1
SCHEMBL7664793 0.74 ADRA2A (0.58) NPC1ALDH1A1CYP3A4MAPK1PSMD14
SCHEMBL27907260 0.74 ALDH1A1 (0.46) LCKNPC1ALDH1A1CYP3A4MAPK1
SCHEMBL374096 0.74 CDK5 (0.61) CDK5CDK1CCNB1CCNA2CCNE1
SCHEMBL4713670 0.73 USP2 (0.71) CDK1CCNB1ALDH1A1CLK4USP2
SCHEMBL3431925 0.73 CDK1 (0.60) CDK5CDK1CCNB1CCNA2CCNE1
SCHEMBL10949857 0.73 ALDH1A1 (0.76) NPC1ALDH1A1CYP3A4MAPK1PSMD14

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
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
CN-103121972-A Pyrimidine urea derivatives as kinase inhibitors NOVARTIS AG 2013-05-29 CN disclosed
CN-103121973-A Pyrimidine urea derivatives as kinase inhibitors NOVARTIS AG 2013-05-29 CN disclosed
US-20130012476-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2013-01-10 US disclosed
US-20130012704-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS DING QIANG (CN) 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 CDK5 59/4885CDK1 3/4885CCNB1 457/4885
US-20130012704-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS MAP3K20, MAP3K1, CDK1 CDK5 59/4885CDK1 3/4885CCNB1 457/4885
US-20090137804-A1 Compounds and Compositions as Protein Kinase Inhibitors MAP3K20, MAP3K1, CDK1 CDK5 59/4885CDK1 3/4885CCNB1 457/4885

“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.