SCHEMBL1015599

SCHEMBL1015599

COc1cc2ncnc(Oc3ccccc3N)c2cc1OC

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.61
KDR P35968 12/20 0.59
EGFR P00533 4/20 0.59
LCK P06239 2/20 0.59
RET P07949 2/20 0.59
KIF5B P33176 1/20 0.59
BRAF P15056 2/20 0.55
CSF1R P07333 2/20 0.54
AURKA O14965 1/20 0.54
MET P08581 1/20 0.54
TEK Q02763 1/20 0.54
AURKB Q96GD4 1/20 0.54
RAF1 P04049 1/20 0.53
KDM1A O60341 1/20 0.52
PDGFRB P09619 1/20 0.52
FLT4 P35916 1/20 0.52
FLT3 P36888 1/20 0.52
PDGFRA P16234 1/20 0.50

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
SCHEMBL1012793 0.88 KDR (0.58) TRPA1KDREGFRLCKRET
SCHEMBL28967996 0.88 KDR (0.58) TRPA1KDREGFRLCKRET
SCHEMBL1012376 0.87 TRPA1 (0.63) TRPA1KDREGFRLCKRET
SCHEMBL5824492 0.83 LCK (0.67) TRPA1KDREGFRLCKRET
SCHEMBL13680204 0.82 KDR (0.73) TRPA1KDREGFRLCKRET
SCHEMBL4360537 0.82 KDR (0.65) TRPA1KDREGFRLCKRET
SCHEMBL4376283 0.82 KDM1A (0.75) TRPA1KDREGFRLCKRET
SCHEMBL5824595 0.81 LCK (0.59) TRPA1KDREGFRLCKRET
SCHEMBL1591261 0.80 EGFR (0.50) TRPA1EGFRKDM1A
SCHEMBL30417878 0.80 KDM1A (0.56) TRPA1KDREGFRLCKRET

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
EP-2268623-A1 QUINAZOLINE DERIVATIVES AS RAF KINASE MODULATORS AND METHODS OF USE THEREOF Ambit Biosciences Corporation (US) 2011-01-05 EP disclosed
WO-2009117080-A1 QUINAZOLINE DERIVATIVES AS RAF KINASE MODULATORS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATON (US) 2009-09-24 WO disclosed
US-7135466-B2 Quinoline and quinazoline derivatives and drugs containing the same KIRIN BEER KABUSHIKI KAISHA (JP) 2006-11-14 US disclosed
US-20060211717-A1 Quinoline and quinazoline derivatives and drugs containing the same KIRIN BEER KABUSHIKI KAISHA (JP) 2006-09-21 US disclosed
US-20040132727-A1 Quinoline and quinazoline derivatives and drugs containing the same KIRIN HOLDINGS KABUSHIKI KAISHA (JP) 2004-07-08 US disclosed
EP-1243582-A1 QUINOLINE AND QUINAZOLINE DERIVATIVES AND DRUGS CONTAINING THE SAME KIRIN BEER KABUSHIKI KAISHA (JP) 2002-09-25 EP 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 (2 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-20060211717-A1 Quinoline and quinazoline derivatives and drugs containing the same PDGFRA, PDGFRB, PDGFA TRPA1 2486/4885KDR 4/4885EGFR 24/4885
US-20040132727-A1 Quinoline and quinazoline derivatives and drugs containing the same PDGFRA, PDGFRB, PDGFA TRPA1 2815/4885KDR 5/4885EGFR 20/4885

“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.