SCHEMBL2889891

SCHEMBL2889891

COc1ccc2nc(Nc3ncnc4ccc(O)cc34)sc2n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RET P07949 5/20 0.45
KDR P35968 5/20 0.45
EGFR P00533 4/20 0.45
ALK Q9UM73 2/20 0.45
RIPK2 O43353 2/20 0.45
GAK O14976 1/20 0.45
STK10 O94804 1/20 0.45
FLT3 P36888 1/20 0.45
JAK3 P52333 1/20 0.45
AAK1 Q2M2I8 1/20 0.45
Q6ZSR9 Q6ZSR9 1/20 0.45
SLK Q9H2G2 1/20 0.45
IRAK4 Q9NWZ3 1/20 0.45
RPS6KA6 Q9UK32 1/20 0.45
RAF1 P04049 8/20 0.44
BRAF P15056 8/20 0.44
KIF5B P33176 4/20 0.44
LCK P06239 1/20 0.44
ERBB2 P04626 1/20 0.43
FGFR1 P11362 1/20 0.42

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
SCHEMBL2888149 0.83 MAPT (0.45) KDREGFRRAF1BRAFLCK
SCHEMBL2642216 0.81 MAPT (0.44) KDREGFRRIPK2LCKERBB2
SCHEMBL2642221 0.81 NPC1 (0.46) EGFRALKRAF1BRAFERBB2
SCHEMBL2891742 0.73 GCK (0.39) KDREGFRLCKERBB2FLT1
SCHEMBL2887706 0.72 EGFR (0.41) RETKDREGFRERBB2MAPT
SCHEMBL2894172 0.72 GCK (0.52) RETKDREGFRALKRIPK2
SCHEMBL2889781 0.71 GCK (0.37) EGFRLCKERBB2MAPTGRM1
SCHEMBL14243031 0.69 LCK (0.41) LCKCDK2MAPT
SCHEMBL16622863 0.68 IDO1 (0.42) LCKMAPT
SCHEMBL2642860 0.67 NPC1 (0.50) EGFRIRAK4MAPTGRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8846700-B2 Heteroaryl quinazoline derivatives MSD K.K. (JP) 2014-09-30 US disclosed
EP-2221301-B1 HETEROARYLOXY QUINAZOLINE DERIVATIVE MSD KK (JP) 2014-06-04 EP disclosed
US-20140011801-A1 HETEROARYL QUINAZOLINE DERIVATIVES MSD K.K. (JP) 2014-01-09 US disclosed
US-20120270856-A1 HETEROARYLOXY QUINAZOLINE DERIVATIVES IINO TOMOHARU (JP) 2012-10-25 US disclosed
US-8232284-B2 Heteroaryloxy quinazoline derivative MSD K. K. (JP) 2012-07-31 US disclosed
US-20100249146-A1 HETEROARYLOXY QUINAZOLINE DERIVATIVE MSD K.K. (JP) 2010-09-30 US disclosed
EP-2221301-A1 HETEROARYLOXY QUINAZOLINE DERIVATIVE Banyu Pharmaceutical Co., Ltd. (JP) 2010-08-25 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 (3 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-20100249146-A1 HETEROARYLOXY QUINAZOLINE DERIVATIVE GCKR, GCK, KHK RET 2491/4885KDR 1926/4885EGFR 4431/4885
US-20140011801-A1 HETEROARYL QUINAZOLINE DERIVATIVES GCK, GCKR, KHK RET 2496/4885KDR 1770/4885EGFR 4441/4885
US-20120270856-A1 HETEROARYLOXY QUINAZOLINE DERIVATIVES GCK, GCKR, KHK RET 2406/4885KDR 1903/4885EGFR 4399/4885

“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.