SCHEMBL5165175

SCHEMBL5165175

COC(=O)c1cc(OC)c([N+](=O)[O-])cc1N

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.66
POLB P06746 2/20 0.49
GAA P10253 2/20 0.48
HTT P42858 2/20 0.46
ALDH1A1 P00352 5/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
NPC1 O15118 1/20 0.44
CYP3A4 P08684 1/20 0.44
MAPT P10636 2/20 0.44
GLA P06280 1/20 0.44
HPGD P15428 1/20 0.44
CASP1 P29466 1/20 0.44
CASP7 P55210 1/20 0.44
ATM Q13315 1/20 0.44
HSD17B10 Q99714 1/20 0.44
PDGFRB P09619 1/20 0.44
FGFR1 P11362 1/20 0.44
PDGFRA P16234 1/20 0.44
FLT1 P17948 1/20 0.44
FGFR3 P22607 1/20 0.44

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
SCHEMBL28630778 0.88 KDM4E (0.57) KDM4EPOLBGAAHTTL3MBTL1
SCHEMBL31305210 0.87 PDGFRB (0.51) KDM4EPOLBHTTALDH1A1L3MBTL1
SCHEMBL3829979 0.86 PKM (0.54) KDM4EPOLBHTTALDH1A1CYP3A4
SCHEMBL3832008 0.86 TDP1 (0.46) KDM4EPOLBHTTALDH1A1L3MBTL1
SCHEMBL14993047 0.83 PDGFRB (0.58) KDM4EPOLBHTTALDH1A1CYP3A4
SCHEMBL30180061 0.83 PDGFRB (0.58) KDM4EPOLBHTTALDH1A1CYP3A4
SCHEMBL8902175 0.83 CHEK1 (0.51) KDM4EPOLBGAAHTTALDH1A1
SCHEMBL11397555 0.83 KDM4E (0.53) KDM4EPOLBGAAALDH1A1MAPT
SCHEMBL9793659 0.82 GAA (0.55) KDM4EPOLBGAAHTTALDH1A1
SCHEMBL4854781 0.82 GAA (0.59) KDM4EPOLBGAAHTTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8299085-B2 Quinazoline derivatives NOVARTIS AG (CH) 2012-10-30 US disclosed
US-8299085-B2 Quinazoline derivatives NOVARTIS AG (CH) 2012-10-30 US disclosed
US-8299085-B2 Quinazoline derivatives NOVARTIS AG (CH) 2012-10-30 US disclosed
US-20070208018-A1 Quinazoline Derivatives NOVARTIS AG (CH) 2007-09-06 US disclosed
US-20070208018-A1 Quinazoline Derivatives NOVARTIS AG (CH) 2007-09-06 US disclosed
US-20070208018-A1 Quinazoline Derivatives NOVARTIS AG (CH) 2007-09-06 US disclosed
EP-1773788-A2 QUINAZOLINE DERIVATIVES NOVARTIS-PHARMA GMBH (AT) 2007-04-18 EP disclosed
WO-2006010591-A2 QUINAZOLINE DERIVATIVES NOVARTIS AG (CH) 2006-02-02 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 (1 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-20070208018-A1 Quinazoline Derivatives CYP3A5, CYP3A7, CYP3A4 KDM4E 1450/4885POLB 3690/4885GAA 854/4885

“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.