SCHEMBL590346

SCHEMBL590346

Cn1c(Cc2ccccc2)nc2cc([N+](=O)[O-])ccc21

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PKM P14618 4/20 0.61
ALDH1A1 P00352 8/20 0.60
LMNA P02545 5/20 0.59
KMT2A Q03164 5/20 0.59
MEN1 O00255 2/20 0.59
CYP2D6 P10635 1/20 0.59
MAPT P10636 2/20 0.56
KDM4E B2RXH2 1/20 0.56
APOBEC3A P31941 1/20 0.56
HTT P42858 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
APOBEC3G Q9HC16 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.53
CNR2 P34972 1/20 0.52
OPRM1 P35372 1/20 0.51
RIPK1 Q13546 1/20 0.49

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
SCHEMBL16590350 0.88 ALDH1A1 (0.58) PKMALDH1A1LMNAKMT2AMEN1
SCHEMBL8029974 0.84 ALDH1A1 (0.55) PKMALDH1A1LMNAKMT2AMEN1
SCHEMBL26911502 0.81 ALDH1A1 (0.65) PKMALDH1A1LMNAKMT2AMEN1
SCHEMBL10273451 0.81 ALDH1A1 (0.65) PKMALDH1A1LMNAKMT2AMEN1
SCHEMBL4981860 0.80 ALDH1A1 (0.54) PKMALDH1A1LMNAKMT2AMEN1
SCHEMBL29622318 0.79 ALDH1A1 (0.62) PKMALDH1A1LMNAKMT2AMEN1
SCHEMBL15166271 0.79 ALDH1A1 (0.68) PKMALDH1A1LMNAKMT2AMEN1
SCHEMBL29184692 0.79 KMT2A (0.64) PKMALDH1A1LMNAKMT2AMEN1
SCHEMBL4980845 0.78 HDAC6 (0.61) PKMALDH1A1LMNAKMT2AMEN1
SCHEMBL10986929 0.77 ALDH1A1 (0.71) PKMALDH1A1LMNAKMT2AMEN1

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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2311825-B1 Pyrimidineamines as angiogenesis modulators NOVARTIS AG (CH) 2015-10-07 EP disclosed
EP-2311825-B1 Pyrimidineamines as angiogenesis modulators NOVARTIS AG (CH) 2015-10-07 EP disclosed
US-20120277258-A1 Chemical Compounds LEO OSPREY LIMITED (JE) 2012-11-01 US disclosed
US-20120277258-A1 Chemical Compounds LEO OSPREY LIMITED (JE) 2012-11-01 US disclosed
US-20120277258-A1 Chemical Compounds LEO OSPREY LIMITED (JE) 2012-11-01 US disclosed
US-8114885-B2 Pazopanib hydrochloride and synthesis, chemical intermediates, and dosage forms thereof; anticancer; colon cancer, breast cancer GLAXOSMITHKLINE LLC (US) 2012-02-14 US disclosed
US-8114885-B2 Pazopanib hydrochloride and synthesis, chemical intermediates, and dosage forms thereof; anticancer; colon cancer, breast cancer GLAXOSMITHKLINE LLC (US) 2012-02-14 US disclosed
US-8114885-B2 Pazopanib hydrochloride and synthesis, chemical intermediates, and dosage forms thereof; anticancer; colon cancer, breast cancer GLAXOSMITHKLINE LLC (US) 2012-02-14 US disclosed
EP-2311825-A1 Pyrimidineamines as angiogenesis modulators GlaxoSmithKline LLC (US) 2011-04-20 EP disclosed
EP-2311825-A1 Pyrimidineamines as angiogenesis modulators GlaxoSmithKline LLC (US) 2011-04-20 EP disclosed
US-7262203-B2 Pyrimidineamines as angiogenesis modulators SMITHKLINE BEECHAM CORPORATION (US) 2007-08-28 US disclosed
US-7262203-B2 Pyrimidineamines as angiogenesis modulators SMITHKLINE BEECHAM CORPORATION (US) 2007-08-28 US disclosed
US-7262203-B2 Pyrimidineamines as angiogenesis modulators SMITHKLINE BEECHAM CORPORATION (US) 2007-08-28 US disclosed
US-20070015756-A1 Chemical compounds NOVARTIS AG (CH) 2007-01-18 US disclosed
US-20070015756-A1 Chemical compounds NOVARTIS AG (CH) 2007-01-18 US disclosed
US-20070015756-A1 Chemical compounds NOVARTIS AG (CH) 2007-01-18 US disclosed
US-7105530-B2 inhibitors of vascular endothelial growth factor receptor-2 kinase; pazopanib and salts; for proliferative retinopathy; anticancer SMITHKLINE BEECHAM CORPORATION (US) 2006-09-12 US disclosed
US-20040242578-A1 Pyrimidineamines as angiogenesis modulators NOVARTIS AG (CH) 2004-12-02 US disclosed
EP-1343782-A1 PYRIMIDINEAMINES AS ANGIOGENESIS MODULATORS GLAXO GROUP LIMITED (GB) 2003-09-17 EP disclosed
WO-2002059110-A1 PYRIMIDINEAMINES AS ANGIOGENESIS MODULATORS GLAXO GROUP LIMITED (GB) 2002-08-01 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 (3 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-20040242578-A1 Pyrimidineamines as angiogenesis modulators TYMS, TYMP, DPYD PKM 2523/4885ALDH1A1 1108/4885LMNA 4653/4885
US-20070015756-A1 Chemical compounds KDR, FLT4, FLT1 PKM 2479/4885ALDH1A1 945/4885LMNA 3921/4885
US-20120277258-A1 Chemical Compounds KDR, FLT4, FLT1 PKM 2479/4885ALDH1A1 945/4885LMNA 3921/4885

“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.