SCHEMBL5167327

SCHEMBL5167327

COC(=O)c1cc(-n2cnc(C(F)(F)F)c2)c(C(F)(F)F)cc1[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.37
KDM4E B2RXH2 2/20 0.37
MAPT P10636 2/20 0.37
TLR2 O60603 6/20 0.37
TLR1 Q15399 6/20 0.37
PDE3B Q13370 1/20 0.37
SIRT6 Q8N6T7 1/20 0.36
MAPK1 P28482 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ALDH1A1 P00352 1/20 0.35
KMT2A Q03164 1/20 0.35
AR P10275 1/20 0.34
CFTR P13569 1/20 0.34
PDGFRB P09619 1/20 0.34
FGFR1 P11362 1/20 0.34
PDGFRA P16234 1/20 0.34
FLT1 P17948 1/20 0.34
FGFR3 P22607 1/20 0.34
KDR P35968 1/20 0.34

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
SCHEMBL5165313 0.89 TLR2 (0.39) SMN1; SMN2KDM4EMAPTTLR2TLR1
SCHEMBL5165019 0.88 MAPK1 (0.37) SMN1; SMN2KDM4EMAPTTLR2TLR1
SCHEMBL27688725 0.86 TLR2 (0.40) SMN1; SMN2KDM4EMAPTTLR2TLR1
SCHEMBL5167789 0.86 TLR2 (0.37) SMN1; SMN2KDM4EMAPTTLR2TLR1
SCHEMBL5167600 0.83 TLR2 (0.44) SMN1; SMN2KDM4EMAPTTLR2TLR1
SCHEMBL5167410 0.82 CFTR (0.53) KDM4EMAPTTLR2TLR1PDE3B
SCHEMBL5167994 0.82 TLR2 (0.43) SMN1; SMN2KDM4EMAPTTLR2TLR1
SCHEMBL2597282 0.77 ALDH1A1 (0.56) SMN1; SMN2KDM4EMAPTSIRT6MAPK1
SCHEMBL5168841 0.77 SIRT6 (0.47) SMN1; SMN2MAPTSIRT6ALDH1A1KMT2A
SCHEMBL5167207 0.74 USP10 (0.39) SMN1; SMN2KDM4EMAPTL3MBTL1ALDH1A1

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 5 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-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 SMN1; SMN2 3684/4885KDM4E 1450/4885MAPT 2053/4885

“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.