SCHEMBL3040065

SCHEMBL3040065

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

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRA P16234 13/20 0.75
ABL1 P00519 13/20 0.75
KIT P10721 10/20 0.75
BCR P11274 10/20 0.61
PDGFRB P09619 4/20 0.61
EGFR P00533 2/20 0.59
PRKCA P17252 1/20 0.59
KDR P35968 2/20 0.59
PLK4 O00444 1/20 0.59
DDX3X O00571 1/20 0.59
GAK O14976 1/20 0.59
SLC22A2 O15244 1/20 0.59
MAPK13 O15264 1/20 0.59
CA12 O43570 1/20 0.59
SLC22A3 O75751 1/20 0.59
ABCB11 O95342 1/20 0.59
CA1 P00915 1/20 0.59
CA2 P00918 1/20 0.59
LMNA P02545 1/20 0.59
ALB P02768 1/20 0.59

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
SCHEMBL3048286 0.90 PDGFRA (0.73) PDGFRAABL1KITBCRPDGFRB
SCHEMBL5189023 0.88 PDGFRA (0.85) PDGFRAABL1KITBCRPDGFRB
SCHEMBL30752396 0.88 ABL1 (0.78) PDGFRAABL1KITBCRPDGFRB
SCHEMBL3061037 0.88 ABL1 (0.78) PDGFRAABL1KITBCRPDGFRB
SCHEMBL723757 0.86 PDGFRA (1.00) PDGFRAABL1KITBCRPDGFRB
Hydrochloric Acid SCHEMBL4396677 0.85 PDGFRA (0.98) PDGFRAABL1KITBCRPDGFRB
SCHEMBL4380580 0.85 PDGFRA (0.67) PDGFRAABL1KITBCRPDGFRB
SCHEMBL3156892 0.84 ABL1 (0.63) PDGFRAABL1KITBCRPDGFRB
SCHEMBL4899582 0.82 ABL1 (0.75) PDGFRAABL1KITBCRPDGFRB
SCHEMBL4900307 0.80 ABL1 (0.72) PDGFRAABL1KITBCRPDGFRB

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
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
EP-1470120-A1 N-OXYDE OF N-PHENYL-2-PYRIMIDINE-AMINE DERIVATIVES Novartis AG (CH) 2004-10-27 EP disclosed
WO-2003062220-A1 N-OXYDE OF N-PHENYL-2-PYRIMIDINE-AMINE DERIVATIVES NOVARTIS AG (CH) 2003-07-31 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 (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 PDGFRA 353/4885ABL1 162/4885KIT 2236/4885
US-20110294820-A1 N-Oxides of n-Phenyl-2-pyrimidine-amine Derivatives NUDT1, PNP, NME2 PDGFRA 229/4885ABL1 106/4885KIT 2044/4885
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 PDGFRA 4/4885ABL1 19/4885KIT 505/4885
US-20140323494-A1 N-OXIDES OF N-PHENYL-2-PYRIMIDINE-AMINE DERIVATIVES NUDT1, PNP, NME2 PDGFRA 182/4885ABL1 104/4885KIT 1974/4885
US-20090239879-A1 N-OXIDES OF N-PHENYL-2-PYRIMIDINE-AMINE DERIVATIVES NUDT1, PNP, NME2 PDGFRA 229/4885ABL1 106/4885KIT 2044/4885

“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.