SCHEMBL2888149

SCHEMBL2888149

COc1ccc2nc(Nc3ncnc4ccc(OC(C)=O)cc34)sc2n1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.45
GRM1 Q13255 1/20 0.45
EGFR P00533 7/20 0.43
LCK P06239 2/20 0.41
GCK P35557 4/20 0.41
NCOA1 Q15788 2/20 0.40
NCOA3 Q9Y6Q9 2/20 0.40
ALDH1A1 P00352 2/20 0.39
HTT P42858 1/20 0.39
F2 P00734 1/20 0.38
GLA P06280 1/20 0.38
HPGD P15428 1/20 0.38
KDR P35968 1/20 0.38
ERBB2 P04626 1/20 0.38
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
NPC1 O15118 1/20 0.38
RAF1 P04049 1/20 0.38
BRAF P15056 1/20 0.38

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
SCHEMBL2642216 0.83 MAPT (0.44) MAPTGRM1EGFRLCKGCK
SCHEMBL2889891 0.83 RET (0.45) MAPTGRM1EGFRLCKKDR
SCHEMBL2891742 0.75 GCK (0.39) MAPTGRM1EGFRLCKGCK
SCHEMBL2642860 0.73 NPC1 (0.50) MAPTGRM1EGFRGCKALDH1A1
SCHEMBL5144877 0.73 EGFR (0.70) MAPTGRM1EGFRALDH1A1HTT
SCHEMBL2887706 0.73 EGFR (0.41) MAPTGRM1EGFRGCKKDR
SCHEMBL2889781 0.72 GCK (0.37) MAPTGRM1EGFRLCKGCK
SCHEMBL2642854 0.70 EGFR (0.40) MAPTGRM1EGFRGCKNPC1
SCHEMBL2642299 0.70 GCK (0.44) MAPTGRM1EGFRLCKGCK
SCHEMBL2660770 0.70 POLB (0.44) MAPTGRM1EGFRGCKERBB2

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 MAPT 4661/4885GRM1 739/4885EGFR 4431/4885
US-20140011801-A1 HETEROARYL QUINAZOLINE DERIVATIVES GCK, GCKR, KHK MAPT 4720/4885GRM1 737/4885EGFR 4441/4885
US-20120270856-A1 HETEROARYLOXY QUINAZOLINE DERIVATIVES GCK, GCKR, KHK MAPT 4654/4885GRM1 728/4885EGFR 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.