SCHEMBL5167902

SCHEMBL5167902

CNc1cc(C(=O)OC)c([N+](=O)[O-])cc1C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFTR P13569 2/20 0.41
SIRT6 Q8N6T7 1/20 0.41
PDGFRB P09619 1/20 0.40
FGFR1 P11362 1/20 0.40
PDGFRA P16234 1/20 0.40
FLT1 P17948 1/20 0.40
FGFR3 P22607 1/20 0.40
KDR P35968 1/20 0.40
ALDH1A1 P00352 3/20 0.40
CYP3A4 P08684 2/20 0.40
AR P10275 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HTT P42858 2/20 0.40
MAPK1 P28482 2/20 0.40
CES2 O00748 1/20 0.40
ABCB11 O95342 1/20 0.40
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40
GLA P06280 1/20 0.40
ADORA3 P0DMS8 1/20 0.40

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
SCHEMBL23970914 0.84 PDGFRB (0.43) CFTRSIRT6PDGFRBFGFR1PDGFRA
SCHEMBL2597417 0.83 CFTR (0.43) CFTRSIRT6PDGFRBFGFR1PDGFRA
SCHEMBL13680344 0.83 HCAR3 (0.49) SIRT6PDGFRBFGFR1PDGFRAFLT1
SCHEMBL26628821 0.83 PDGFRB (0.49) SIRT6PDGFRBFGFR1PDGFRAFLT1
SCHEMBL12768213 0.82 SIRT6 (0.43) SIRT6PDGFRBFGFR1PDGFRAFLT1
SCHEMBL12898267 0.82 SIRT6 (0.43) SIRT6PDGFRBFGFR1PDGFRAFLT1
SCHEMBL25504517 0.82 SMN1; SMN2 (0.50) CFTRSIRT6PDGFRBFGFR1PDGFRA
SCHEMBL22833807 0.81 CFTR (0.43) CFTRSIRT6PDGFRBFGFR1PDGFRA
SCHEMBL24525104 0.80 CFTR (0.51) CFTRSIRT6PDGFRBFGFR1PDGFRA
SCHEMBL24525434 0.80 NOTUM (0.50) CFTRSIRT6PDGFRBFGFR1PDGFRA

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 6 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-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 CFTR 430/4885SIRT6 749/4885PDGFRB 2395/4885

“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.