SCHEMBL5645967

SCHEMBL5645967

COc1cc(Cc2ccccc2)c(OC)cc1N

nearest known ligand 0.63

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.49
ALDH1A1 P00352 1/20 0.49
GPR55 Q9Y2T6 1/20 0.46
HTR2A P28223 1/20 0.46
AADAT Q8N5Z0 1/20 0.45

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
SCHEMBL28695702 0.91 AADAT (0.46) GAAALDH1A1AADAT
SCHEMBL8061320 0.90 ALDH1A1 (0.49) GAAALDH1A1GPR55
SCHEMBL15540748 0.85 HTR2A (0.45) GPR55HTR2AAADAT
SCHEMBL27902640 0.81 AADAT (0.45) ALDH1A1AADAT
SCHEMBL27894313 0.80 ALDH1A1 (0.49) ALDH1A1
SCHEMBL27854539 0.79 GAA (0.53) GAA
SCHEMBL3042113 0.79 GAA (0.73) GAA
SCHEMBL15533244 0.79 HTR2A (0.62) HTR2A
SCHEMBL5311976 0.79 HTR2A (0.72) HTR2A
SCHEMBL12185684 0.79 LTA4H (0.50) ALDH1A1GPR55

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070299092-A1 Quinone Substituted Quinazoline and Quinoline Kinase Inhibitors WYETH (US) 2007-12-27 US disclosed
WO-2005115145-A2 QUINONE SUBSTITUTED QUINAZOLINE AND QUINOLINE KINASE INHIBITORS WYETH (US) 2005-12-08 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-20070299092-A1 Quinone Substituted Quinazoline and Quinoline Kinase Inhibitors KDR, FLT1, FLT4 GAA 2151/4885ALDH1A1 530/4885GPR55 1296/4885

“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.