SCHEMBL2642986

SCHEMBL2642986

CC(C)Oc1ccc2ncnc(Nc3cnccn3)c2c1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GCK P35557 5/20 0.56
MAPT P10636 3/20 0.50
GRM1 Q13255 1/20 0.50
NPC1 O15118 2/20 0.49
RAB9A P51151 1/20 0.49
KMT2A Q03164 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
EGFR P00533 7/20 0.48
LCK P06239 2/20 0.46
IRAK4 Q9NWZ3 1/20 0.45
CD38 P28907 1/20 0.44
NCOA1 Q15788 2/20 0.42
NCOA3 Q9Y6Q9 2/20 0.42
ERBB2 P04626 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
SCHEMBL2642812 0.88 MAPT (0.65) GCKMAPTGRM1NPC1KMT2A
SCHEMBL2642317 0.81 GCK (0.61) GCKMAPTGRM1KMT2AEGFR
SCHEMBL2642947 0.77 ALK (0.50) GCKEGFRIRAK4CD38ERBB2
SCHEMBL6831390 0.74 EGFR (0.57) NPC1RAB9ASMN1; SMN2EGFRCD38
SCHEMBL2887597 0.73 GCK (0.54) GCKMAPTGRM1EGFR
SCHEMBL2891968 0.72 GCK (0.47) GCKMAPTGRM1EGFRLCK
SCHEMBL2642983 0.72 GCK (1.00) GCK
SCHEMBL2642860 0.72 NPC1 (0.50) GCKMAPTGRM1NPC1RAB9A
SCHEMBL2884634 0.71 GCK (0.49) GCKMAPTGRM1EGFRLCK
SCHEMBL2884622 0.71 GCK (0.49) GCKMAPTGRM1EGFRERBB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7687502-B2 Substituted quinazoline or pyridopyrimidine derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-03-30 US claimed
US-20080032996-A1 Substituted Quinazoline or Pyridopyrimidine Derivative MSD K.K. (JP) 2008-02-07 US claimed
EP-1734040-A1 SUBSTITUTED QUINAZOLINE OR PYRIDOPYRIMIDINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-12-20 EP claimed
US-7687502-B2 Substituted quinazoline or pyridopyrimidine derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-03-30 US disclosed
US-7687502-B2 Substituted quinazoline or pyridopyrimidine derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-03-30 US 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
US-20080032996-A1 Substituted Quinazoline or Pyridopyrimidine Derivative MSD K.K. (JP) 2008-02-07 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
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 (1 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-20080032996-A1 Substituted Quinazoline or Pyridopyrimidine Derivative GCK, GCKR, PDXK GCK 1/4885MAPT 4375/4885GRM1 1431/4885

“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.