SCHEMBL2889781

SCHEMBL2889781

CCOC(COc1cnc(Oc2ccc3ncnc(Nc4nc5ccc(OC)nc5s4)c3c2)c(Cl)c1)OCC

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GCK P35557 5/20 0.37
MAPT P10636 3/20 0.35
GRM1 Q13255 1/20 0.35
EGFR P00533 7/20 0.34
PIK3CD O00329 1/20 0.33
PIK3CA P42336 1/20 0.33
PIK3CB P42338 1/20 0.33
PIK3CG P48736 1/20 0.33
LCK P06239 3/20 0.33
ERBB2 P04626 1/20 0.33
ITK Q08881 1/20 0.32
AURKB Q96GD4 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HTT P42858 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
KRAS P01116 1/20 0.32
SRC P12931 1/20 0.32

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
SCHEMBL2891742 0.85 GCK (0.39) GCKMAPTGRM1EGFRLCK
SCHEMBL2887706 0.85 EGFR (0.41) GCKMAPTGRM1EGFRPIK3CA
SCHEMBL2891968 0.80 GCK (0.47) GCKMAPTGRM1EGFRLCK
SCHEMBL2884451 0.79 GCK (0.47) GCKMAPTGRM1EGFR
SCHEMBL2642216 0.74 MAPT (0.44) GCKMAPTGRM1EGFRLCK
SCHEMBL2891816 0.73 GCK (0.50) GCKMAPTGRM1EGFRLCK
SCHEMBL2888149 0.72 MAPT (0.45) GCKMAPTGRM1EGFRLCK
SCHEMBL2889891 0.71 RET (0.45) MAPTGRM1EGFRLCKERBB2
SCHEMBL2884562 0.71 GCK (0.48) GCKMAPTGRM1
SCHEMBL2642410 0.70 GCK (0.59) GCKMAPTGRM1EGFR

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 GCK 2/4885MAPT 4661/4885GRM1 739/4885
US-20140011801-A1 HETEROARYL QUINAZOLINE DERIVATIVES GCK, GCKR, KHK GCK 1/4885MAPT 4720/4885GRM1 737/4885
US-20120270856-A1 HETEROARYLOXY QUINAZOLINE DERIVATIVES GCK, GCKR, KHK GCK 1/4885MAPT 4654/4885GRM1 728/4885

“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.