SCHEMBL3061037

SCHEMBL3061037

Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2ccc[n+]([O-])c2)n1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 20/20 0.78
KIT P10721 17/20 0.78
ABL2 P42684 13/20 0.78
BCR P11274 8/20 0.78
PDGFRA P16234 2/20 0.78
PLK4 O00444 1/20 0.78
DDX3X O00571 1/20 0.78
GAK O14976 1/20 0.78
SLC22A2 O15244 1/20 0.78
MAPK13 O15264 1/20 0.78
CA12 O43570 1/20 0.78
SLC22A3 O75751 1/20 0.78
ABCB11 O95342 1/20 0.78
EGFR P00533 1/20 0.78
CA1 P00915 1/20 0.78
CA2 P00918 1/20 0.78
LMNA P02545 1/20 0.78
ALB P02768 1/20 0.78
RAF1 P04049 1/20 0.78
ERBB2 P04626 1/20 0.78

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
SCHEMBL30752396 1.00 ABL1 (0.78) ABL1KITABL2BCRPDGFRA
SCHEMBL18210973 0.91 ABL1 (0.78) ABL1KITABL2BCRPDGFRA
SCHEMBL13437239 0.90 ABL1 (0.87) ABL1KITABL2BCRPDGFRA
SCHEMBL3040065 0.88 PDGFRA (0.75) ABL1KITABL2BCRPDGFRA
SCHEMBL5202204 0.88 ABL1 (0.59) ABL1KITABL2BCRPDGFRA
Imatinib SCHEMBL2236091 0.88 ABL1 (1.00) ABL1KITABL2BCRPDGFRA
Imatinib SCHEMBL29355523 0.88 ABL1 (1.00) ABL1KITABL2BCRPDGFRA
Imatinib SCHEMBL29351601 0.88 ABL1 (1.00) ABL1KITABL2BCRPDGFRA
Imatinib SCHEMBL3827 0.88 ABL1 (1.00) ABL1KITABL2BCRPDGFRA
Imatinib SCHEMBL529425 0.87 ABL1 (0.98) ABL1KITABL2BCRPDGFRA

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-2194049-B1 N-oxides of N-phenyl-2-pyrimidine-amine derivatives NOVARTIS AG (CH) 2014-08-13 EP claimed
EP-2194049-A1 N-oxides of N-phenyl-2-pyrimidine-amine derivatives Novartis AG (CH) 2010-06-09 EP claimed
US-20050209452-A1 Proliferative disorders; cancer; 4-(4-methylpiperazin-1-ylmethyl)-N-[4-methyl-3-(4-pyridin-3-yl)pyrimidin-2-ylamino)phenyl]-benzamide NOVARTIS AG (CH) 2005-09-22 US claimed
US-20140323494-A1 N-OXIDES OF N-PHENYL-2-PYRIMIDINE-AMINE DERIVATIVES NOVARTIS AG (CH) 2014-10-30 US disclosed
EP-2194049-B1 N-oxides of N-phenyl-2-pyrimidine-amine derivatives NOVARTIS AG (CH) 2014-08-13 EP disclosed
US-20110294820-A1 N-Oxides of n-Phenyl-2-pyrimidine-amine Derivatives BOERNSEN KLAUS OLAF (DE) 2011-12-01 US disclosed
US-20100222362-A1 N-OXIDES OF N-PHENYL-2-PYRAMIDINE-AMINE DERIVATIVES BOERNSEN KLAUS OLAF 2010-09-02 US disclosed
EP-2194049-A1 N-oxides of N-phenyl-2-pyrimidine-amine derivatives Novartis AG (CH) 2010-06-09 EP disclosed
US-20090239879-A1 N-OXIDES OF N-PHENYL-2-PYRIMIDINE-AMINE DERIVATIVES BORNSEN KLAUS OLAF 2009-09-24 US disclosed
US-7557105-B2 Proliferative disorders; cancer; 4-(4-methylpiperazin-1-ylmethyl)-N-[4-methyl-3-(4-pyridin-3-yl)pyrimidin-2-ylamino)phenyl]-benzamide NOVARTIS AG (CH) 2009-07-07 US disclosed
EP-1783126-A2 N-oxides of N-phenyl-2-pyrimidine-amine derivatives Novartis AG (CH) 2007-05-09 EP disclosed
US-20050209452-A1 Proliferative disorders; cancer; 4-(4-methylpiperazin-1-ylmethyl)-N-[4-methyl-3-(4-pyridin-3-yl)pyrimidin-2-ylamino)phenyl]-benzamide NOVARTIS AG (CH) 2005-09-22 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 (5 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-20100222362-A1 N-OXIDES OF N-PHENYL-2-PYRAMIDINE-AMINE DERIVATIVES NUDT1, NT5C2, NOX5 ABL1 162/4885KIT 2236/4885ABL2 128/4885
US-20110294820-A1 N-Oxides of n-Phenyl-2-pyrimidine-amine Derivatives NUDT1, PNP, NME2 ABL1 106/4885KIT 2044/4885ABL2 164/4885
US-20050209452-A1 Proliferative disorders; cancer; 4-(4-methylpiperazin-1-ylmethyl)-N-[4-methyl-3-(4-pyridin-3-yl)pyrimidin-2-ylamino)phenyl]-benzamide MKI67, CDK4, NME2 ABL1 19/4885KIT 505/4885ABL2 92/4885
US-20140323494-A1 N-OXIDES OF N-PHENYL-2-PYRIMIDINE-AMINE DERIVATIVES NUDT1, PNP, NME2 ABL1 104/4885KIT 1974/4885ABL2 143/4885
US-20090239879-A1 N-OXIDES OF N-PHENYL-2-PYRIMIDINE-AMINE DERIVATIVES NUDT1, PNP, NME2 ABL1 106/4885KIT 2044/4885ABL2 164/4885

“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.