SCHEMBL2642264

SCHEMBL2642264

Cn1ccc(Nc2ncnc3ccc(O)cc23)n1

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GCK P35557 16/20 0.60
ALK Q9UM73 1/20 0.48
RAF1 P04049 2/20 0.46
BRAF P15056 2/20 0.46
EGFR P00533 1/20 0.46
ERBB2 P04626 1/20 0.46

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
SCHEMBL2890120 0.83 GCK (0.73) GCKEGFRERBB2
SCHEMBL2642265 0.81 GCK (0.62) GCKEGFRERBB2
SCHEMBL2884488 0.81 ALK (0.47) GCKALKRAF1BRAFEGFR
SCHEMBL2890033 0.80 GCK (0.67) GCKEGFR
SCHEMBL2889591 0.78 GCK (0.73) GCK
SCHEMBL2642629 0.76 GCK (0.64) GCK
SCHEMBL2889760 0.75 ALK (0.44) ALKRAF1BRAFEGFRERBB2
SCHEMBL2890049 0.75 RAF1 (0.46) ALKRAF1BRAFEGFRERBB2
SCHEMBL2642371 0.75 GCK (1.00) GCK
SCHEMBL2642472 0.75 GCK (1.00) GCKEGFR

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-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
US-7687502-B2 Substituted quinazoline or pyridopyrimidine derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-03-30 US disclosed
US-20080032996-A1 Substituted Quinazoline or Pyridopyrimidine Derivative MSD K.K. (JP) 2008-02-07 US disclosed
EP-1734040-A1 SUBSTITUTED QUINAZOLINE OR PYRIDOPYRIMIDINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-12-20 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 (4 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 2/4885ALK 3719/4885RAF1 199/4885
US-20140011801-A1 HETEROARYL QUINAZOLINE DERIVATIVES GCK, GCKR, KHK GCK 1/4885ALK 3750/4885RAF1 207/4885
US-20080032996-A1 Substituted Quinazoline or Pyridopyrimidine Derivative GCK, GCKR, PDXK GCK 1/4885ALK 3218/4885RAF1 206/4885
US-20120270856-A1 HETEROARYLOXY QUINAZOLINE DERIVATIVES GCK, GCKR, KHK GCK 1/4885ALK 3614/4885RAF1 182/4885

“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.