SCHEMBL3047472

SCHEMBL3047472

O=C1CN(Cc2ccc(C(=O)O)cc2)CCN1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.47
PTGS1 P23219 1/20 0.46
PTGS2 P35354 1/20 0.46
JAK2 O60674 1/20 0.44
JAK1 P23458 1/20 0.44
TNIK Q9UKE5 1/20 0.44
MCHR1 Q99705 1/20 0.44
KDM5C P41229 1/20 0.44
KDM4C Q9H3R0 1/20 0.44
GRM2 Q14416 1/20 0.43
KMT2A Q03164 3/20 0.43
GAA P10253 3/20 0.43
THRB P10828 3/20 0.43
MEN1 O00255 2/20 0.43
ALDH1A1 P00352 2/20 0.43
POLB P06746 2/20 0.43
MAPT P10636 2/20 0.43
RECQL P46063 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43

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
SCHEMBL220097 0.83 SIGMAR1 (0.62) SMN1; SMN2KMT2AGAAMEN1ALDH1A1
SCHEMBL1160126 0.83 SIGMAR1 (0.62) SMN1; SMN2KDM5CKDM4CKMT2AGAA
SCHEMBL4751222 0.81 SMN1; SMN2 (0.58) SMN1; SMN2JAK2JAK1KMT2AMEN1
SCHEMBL13995932 0.81 SIGMAR1 (0.61) SMN1; SMN2KDM5CKDM4CKMT2AGAA
Hydrochloric Acid SCHEMBL28273325 0.81 SIGMAR1 (0.61) SMN1; SMN2KDM5CKDM4CKMT2AGAA
Hydrochloric Acid SCHEMBL10901935 0.81 SIGMAR1 (0.61) SMN1; SMN2KDM5CKDM4CKMT2AGAA
SCHEMBL6707987 0.81 GRM2 (0.47) SMN1; SMN2JAK2JAK1TNIKMCHR1
SCHEMBL4748942 0.80 ALDH1A1 (0.61) SMN1; SMN2MCHR1GRM2KMT2AMEN1
SCHEMBL1427302 0.80 ALDH1A1 (0.47) SMN1; SMN2JAK2JAK1TNIKKMT2A
SCHEMBL17468364 0.80 CXCR4 (0.55) SMN1; SMN2KMT2AGAAMEN1ALDH1A1

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 13 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
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
CN-101468984-A N-oxyde of n-phenyl-2-pyrimidine-amine derivatives NOVARTIS PHARMA GMBH (CH) 2009-07-01 CN disclosed
CN-100467461-C N-oxides of N-phenyl-2-pyrimidine-amine derivatives NOVARTIS AG (CH) 2009-03-11 CN 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
CN-1646519-A N-oxides of N-phenyl-2-pyrimidine-amine derivatives NOVARTIS AG (CH) 2005-07-27 CN 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 SMN1; SMN2 500/4885PTGS1 305/4885PTGS2 140/4885
US-20110294820-A1 N-Oxides of n-Phenyl-2-pyrimidine-amine Derivatives NUDT1, PNP, NME2 SMN1; SMN2 711/4885PTGS1 434/4885PTGS2 277/4885
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 SMN1; SMN2 769/4885PTGS1 414/4885PTGS2 452/4885
US-20140323494-A1 N-OXIDES OF N-PHENYL-2-PYRIMIDINE-AMINE DERIVATIVES NUDT1, PNP, NME2 SMN1; SMN2 597/4885PTGS1 463/4885PTGS2 285/4885
US-20090239879-A1 N-OXIDES OF N-PHENYL-2-PYRIMIDINE-AMINE DERIVATIVES NUDT1, PNP, NME2 SMN1; SMN2 711/4885PTGS1 434/4885PTGS2 277/4885

“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.