Sugi Predict

Sugi Predict / Compounds / SCHEMBL3058299

SCHEMBL3058299

SCHEMBL3058299

Cc1ccc(NC(=O)c2ccc(CN3CCNC(=O)C3)cc2)cc1Nc1nccc(-c2cccnc2)n1

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 16/20 0.86
▸ BCR P11274 13/20 0.86
▸ KIT P10721 12/20 0.86
▸ LRRK2 Q5S007 1/20 0.86
▸ PDGFRA P16234 10/20 0.78
▸ PDGFRB P09619 4/20 0.78
▸ ABL2 P42684 3/20 0.78
▸ EGFR P00533 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
▸ CA1 P00915 1/20 0.78
▸ CA2 P00918 1/20 0.78
▸ LMNA P02545 1/20 0.78
▸ ALB P02768 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
SCHEMBL29410182 0.93 ABL1 (1.00) ABL1BCRKITLRRK2PDGFRA
SCHEMBL846536 0.93 ABL1 (1.00) ABL1BCRKITLRRK2PDGFRA
SCHEMBL31553098 0.90 ABL1 (0.94) ABL1BCRKITLRRK2PDGFRA
SCHEMBL4405514 0.90 ABL1 (1.00) ABL1BCRKITLRRK2PDGFRA
SCHEMBL3166691 0.90 ABL1 (0.82) ABL1BCRKITLRRK2PDGFRA
SCHEMBL4394539 0.89 ABL1 (0.88) ABL1BCRKITLRRK2PDGFRA
SCHEMBL12127861 0.88 ABL1 (0.90) ABL1BCRKITLRRK2PDGFRA
SCHEMBL4399517 0.88 ABL1 (0.87) ABL1BCRKITLRRK2PDGFRA
SCHEMBL13524670 0.88 ABL1 (0.83) ABL1BCRKITLRRK2PDGFRA
SCHEMBL3264382 0.88 ABL1 (0.90) ABL1BCRKITLRRK2PDGFRA

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090239879-A1 N-OXIDES OF N-PHENYL-2-PYRIMIDINE-AMINE DERIVATIVES BORNSEN KLAUS OLAF 2009-09-24 — — US claimed
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 claimed
CN-101468984-A N-oxyde of n-phenyl-2-pyrimidine-amine derivatives NOVARTIS PHARMA GMBH (CH) 2009-07-01 — — CN claimed
CN-100467461-C N-oxides of N-phenyl-2-pyrimidine-amine derivatives NOVARTIS AG (CH) 2009-03-11 — — CN claimed
EP-1783126-A2 N-oxides of N-phenyl-2-pyrimidine-amine derivatives Novartis AG (CH) 2007-05-09 — — 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
CN-1646519-A N-oxides of N-phenyl-2-pyrimidine-amine derivatives NOVARTIS AG (CH) 2005-07-27 — — CN claimed
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
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
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 162/4885BCR 4524/4885KIT 2236/4885
US-20110294820-A1 N-Oxides of n-Phenyl-2-pyrimidine-amine Derivatives NUDT1, PNP, NME2 ABL1 106/4885BCR 4627/4885KIT 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 ABL1 19/4885BCR 1069/4885KIT 505/4885
US-20140323494-A1 N-OXIDES OF N-PHENYL-2-PYRIMIDINE-AMINE DERIVATIVES NUDT1, PNP, NME2 ABL1 104/4885BCR 4526/4885KIT 1974/4885
US-20090239879-A1 N-OXIDES OF N-PHENYL-2-PYRIMIDINE-AMINE DERIVATIVES NUDT1, PNP, NME2 ABL1 106/4885BCR 4627/4885KIT 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.