SCHEMBL3048286

SCHEMBL3048286

Cc1ccc(NC(=O)c2ccccc2)cc1Nc1nccc(-c2ccc[n+]([O-])c2)n1

nearest known ligand 0.73

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDGFRA P16234 14/20 0.73
ABL1 P00519 10/20 0.73
BCR P11274 7/20 0.73
PDGFRB P09619 6/20 0.73
PRKCA P17252 2/20 0.73
EGFR P00533 1/20 0.73
KIT P10721 6/20 0.59
KDR P35968 1/20 0.58
ABL2 P42684 1/20 0.56

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
SCHEMBL3040065 0.90 PDGFRA (0.75) PDGFRAABL1BCRPDGFRBPRKCA
SCHEMBL9971 0.85 ABL1 (0.57) PDGFRAABL1BCRPDGFRBPRKCA
SCHEMBL3061037 0.85 ABL1 (0.78) PDGFRAABL1BCRPDGFRBEGFR
SCHEMBL30752396 0.85 ABL1 (0.78) PDGFRAABL1BCRPDGFRBEGFR
SCHEMBL9782 0.84 PDGFRA (1.00) PDGFRAABL1BCRPDGFRBPRKCA
SCHEMBL29498750 0.84 PDGFRA (1.00) PDGFRAABL1BCRPDGFRBPRKCA
SCHEMBL4899602 0.84 PDGFRA (0.82) PDGFRAABL1BCRPDGFRBPRKCA
Methane SCHEMBL5972158 0.83 PDGFRA (0.98) PDGFRAABL1BCRPDGFRBPRKCA
SCHEMBL12987337 0.83 PDGFRA (0.63) PDGFRAABL1BCRPDGFRBPRKCA
SCHEMBL15653665 0.82 PDGFRA (0.62) PDGFRAABL1BCRPDGFRBPRKCA

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-1470120-A1 N-OXYDE OF N-PHENYL-2-PYRIMIDINE-AMINE DERIVATIVES Novartis AG (CH) 2004-10-27 EP claimed
WO-2003062220-A1 N-OXYDE OF N-PHENYL-2-PYRIMIDINE-AMINE DERIVATIVES NOVARTIS AG (CH) 2003-07-31 WO 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 PDGFRA 353/4885ABL1 162/4885BCR 4524/4885
US-20110294820-A1 N-Oxides of n-Phenyl-2-pyrimidine-amine Derivatives NUDT1, PNP, NME2 PDGFRA 229/4885ABL1 106/4885BCR 4627/4885
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 19/4885BCR 1069/4885
US-20140323494-A1 N-OXIDES OF N-PHENYL-2-PYRIMIDINE-AMINE DERIVATIVES NUDT1, PNP, NME2 PDGFRA 182/4885ABL1 104/4885BCR 4526/4885
US-20090239879-A1 N-OXIDES OF N-PHENYL-2-PYRIMIDINE-AMINE DERIVATIVES NUDT1, PNP, NME2 PDGFRA 229/4885ABL1 106/4885BCR 4627/4885

“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.