SCHEMBL5168499

SCHEMBL5168499

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.49
ALDH1A1 P00352 4/20 0.48
CFTR P13569 4/20 0.44
GAA P10253 4/20 0.44
HSD17B10 Q99714 3/20 0.44
MAPT P10636 2/20 0.44
HPGD P15428 2/20 0.44
GLA P06280 1/20 0.44
CASP1 P29466 1/20 0.44
CASP7 P55210 1/20 0.44
ATM Q13315 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
KDR P35968 1/20 0.44
ABL1 P00519 1/20 0.43
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42

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
SCHEMBL32659715 0.87 PDGFRB (0.51) ALDH1A1MAPTHPGDATMPDGFRB
SCHEMBL1560111 0.86 PDGFRB (0.47) KDM4EALDH1A1MAPTATMPDGFRB
SCHEMBL29128061 0.84 KDM4E (0.49) KDM4EALDH1A1CFTRGAAHSD17B10
SCHEMBL14008526 0.83 PDGFRB (0.58) ALDH1A1PDGFRBFGFR1PDGFRAFLT1
SCHEMBL11397555 0.83 KDM4E (0.53) KDM4EALDH1A1CFTRGAAHSD17B10
SCHEMBL2247382 0.83 PDGFRB (0.50) KDM4EALDH1A1MAPTHPGDATM
SCHEMBL23577770 0.82 PDGFRB (0.44) ALDH1A1GAAMAPTATMPDGFRB
SCHEMBL5165175 0.82 KDM4E (0.66) KDM4EALDH1A1GAAHSD17B10MAPT
SCHEMBL1509515 0.82 PDGFRB (0.47) KDM4EALDH1A1CFTRGAAHSD17B10
SCHEMBL3998487 0.82 ALDH1A1 (0.51) KDM4EALDH1A1CFTRGAAHSD17B10

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-1773788-B1 Quinazoline derivatives NOVARTIS AG (CH) 2012-11-14 EP 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
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
EP-0760819-B1 TRICYCLIC DICARBONYL DERIVATIVES HOFFMANN LA ROCHE (CH) 2000-07-19 EP disclosed
US-5688803-A BRAIN DISORDERS; PSYCHOLOGICAL DISORDERS HOFFMANN-LA ROCHE INC. (US) 1997-11-18 US disclosed
EP-0760819-A1 TRICYCLIC DICARBONYL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1997-03-12 EP disclosed
WO-1995032205-A1 TRICYCLIC DICARBONYL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1995-11-30 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 1450/4885ALDH1A1 460/4885CFTR 430/4885

“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.