SCHEMBL1099574

SCHEMBL1099574

COCCOc1cc2ncnc(Oc3ccc(CC(=O)O)cc3F)c2cc1OCCOC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.53
TRPA1 O75762 1/20 0.52
RAF1 P04049 5/20 0.48
BRAF P15056 5/20 0.48
MET P08581 9/20 0.47
KDR P35968 6/20 0.46
FLT3 P36888 2/20 0.45
PDGFRB P09619 1/20 0.45
AURKA O14965 1/20 0.44
STK10 O94804 1/20 0.44
NTRK1 P04629 1/20 0.44
KIT P10721 1/20 0.44
CDK11B P21127 1/20 0.44
AXL P30530 1/20 0.44
BLK P51451 1/20 0.44
TYRO3 Q06418 1/20 0.44
DDR1 Q08345 1/20 0.44
MERTK Q12866 1/20 0.44
MAP2K5 Q13163 1/20 0.44
NTRK2 Q16620 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
SCHEMBL1099234 0.89 TRPA1 (0.65) TRPA1METKDRFLT3PDGFRB
SCHEMBL1099144 0.89 TRPA1 (0.57) TRPA1METKDRFLT3PDGFRB
SCHEMBL1098319 0.86 KDM1A (0.63) KDM1ARAF1BRAFKDRFLT3
SCHEMBL1098245 0.84 KDM1A (0.60) KDM1ARAF1BRAFKDRFLT3
SCHEMBL1098029 0.81 TRPA1 (0.46) TRPA1RAF1BRAFMETKDR
SCHEMBL14771329 0.81 KDM1A (0.58) KDM1ATRPA1RAF1BRAFMET
SCHEMBL23158502 0.79 KDM1A (0.56) KDM1ATRPA1RAF1BRAFMET
SCHEMBL14771309 0.78 TRPA1 (0.64) KDM1ATRPA1RAF1BRAFMET
SCHEMBL14771291 0.78 TRPA1 (0.64) KDM1ATRPA1RAF1BRAFMET
SCHEMBL7214411 0.78 KDR (0.67) KDM1ATRPA1RAF1BRAFMET

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
US-20120165351-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2012-06-28 US disclosed
US-8153643-B2 Quinazoline derivatives ASTRAZENECA AB (SE) 2012-04-10 US disclosed
EP-1802591-B1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2012-01-11 EP disclosed
EP-1802591-A1 QUINAZOLINE DERIVATIVES AstraZeneca AB (SE) 2007-07-04 EP disclosed
WO-2006040520-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2006-04-20 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-20120165351-A1 QUINAZOLINE DERIVATIVES AQP1, F12, AQP3 KDM1A 2101/4885TRPA1 3413/4885RAF1 189/4885

“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.