SCHEMBL6911042

SCHEMBL6911042

CNS(=O)(=O)c1cccc(Nc2ncnc3cc(OC)c(OC)cc23)c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 5/20 0.74
RET P07949 5/20 0.69
EGFR P00533 9/20 0.66
KDR P35968 6/20 0.66
SRC P12931 4/20 0.66
BRAF P15056 1/20 0.65
TNNI3K Q59H18 1/20 0.65
EPHB2 P29323 2/20 0.65
KDM4E B2RXH2 2/20 0.65
ABL1 P00519 2/20 0.65
CYP1A2 P05177 2/20 0.65
CYP3A4 P08684 2/20 0.65
FBP1 P09467 2/20 0.65
CYP2D6 P10635 2/20 0.65
MAPT P10636 2/20 0.65
MAPK1 P28482 2/20 0.65
MAPK14 Q16539 2/20 0.65
MKNK1 Q9BUB5 2/20 0.65
FGFR1 P11362 1/20 0.65
FLT1 P17948 1/20 0.65

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
Hydrochloric Acid SCHEMBL12003639 0.99 LRRK2 (0.72) LRRK2RETEGFRKDRSRC
SCHEMBL25688818 0.84 LRRK2 (0.80) LRRK2RETEGFRKDRSRC
SCHEMBL1804035 0.84 TNNI3K (0.80) LRRK2RETEGFRKDRSRC
SCHEMBL16087034 0.83 LRRK2 (0.63) LRRK2RETEGFRKDRSRC
SCHEMBL6911408 0.82 TNNI3K (0.67) EGFRSRCBRAFTNNI3K
SCHEMBL6912603 0.81 TNNI3K (0.57) LRRK2EGFRBRAFTNNI3K
Hydrochloric Acid SCHEMBL12003695 0.81 TNNI3K (0.66) EGFRBRAFTNNI3K
SCHEMBL25679222 0.81 LRRK2 (0.81) LRRK2RETEGFRKDRSRC
SCHEMBL6912147 0.81 EGFR (0.66) LRRK2RETEGFRKDRSRC
SCHEMBL14982743 0.80 LRRK2 (0.84) LRRK2RETEGFRKDRSRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8859571-B2 Quinazoline compounds GLAXOSMITHKLINE LLC (US) 2014-10-14 US claimed
EP-2501233-B1 QUINAZOLINE COMPOUNDS GLAXOSMITHKLINE LLC (US) 2014-09-24 EP claimed
US-20120220588-A1 QUINAZOLINE COMPOUNDS GLAXOSMITHKLINE LLC 2012-08-30 US claimed
US-8859571-B2 Quinazoline compounds GLAXOSMITHKLINE LLC (US) 2014-10-14 US disclosed
US-8859571-B2 Quinazoline compounds GLAXOSMITHKLINE LLC (US) 2014-10-14 US disclosed
EP-2501233-B1 QUINAZOLINE COMPOUNDS GLAXOSMITHKLINE LLC (US) 2014-09-24 EP disclosed
EP-2501233-B1 QUINAZOLINE COMPOUNDS GLAXOSMITHKLINE LLC (US) 2014-09-24 EP disclosed
US-20120220588-A1 QUINAZOLINE COMPOUNDS GLAXOSMITHKLINE LLC 2012-08-30 US disclosed
US-20120220588-A1 QUINAZOLINE COMPOUNDS GLAXOSMITHKLINE LLC 2012-08-30 US disclosed
WO-2011056740-A1 QUINAZOLINE COMPOUNDS GLAXOSMITHKLINE LLC (US) 2011-05-12 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-20120220588-A1 QUINAZOLINE COMPOUNDS NQO2, PRMT7, QDPR LRRK2 220/4885RET 1565/4885EGFR 3336/4885

“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.