SCHEMBL2642216

SCHEMBL2642216

COc1ccc2nc(Nc3ncnc4ccc(OC(CF)CF)cc34)sc2n1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.44
GRM1 Q13255 1/20 0.44
EGFR P00533 7/20 0.43
GCK P35557 2/20 0.42
LCK P06239 2/20 0.41
NCOA1 Q15788 2/20 0.40
NCOA3 Q9Y6Q9 2/20 0.40
ERBB2 P04626 1/20 0.40
KDR P35968 3/20 0.40
KRAS P01116 1/20 0.39
PDE5A O76074 1/20 0.38
NPC1 O15118 1/20 0.37
RIPK2 O43353 1/20 0.37

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
SCHEMBL2642299 0.87 GCK (0.44) MAPTGRM1EGFRGCKLCK
SCHEMBL2642274 0.84 GCK (0.41) MAPTGRM1EGFRGCKERBB2
SCHEMBL2888149 0.83 MAPT (0.45) MAPTGRM1EGFRGCKLCK
SCHEMBL2643951 0.82 GCK (0.41) MAPTGRM1EGFRGCKLCK
SCHEMBL2889891 0.81 RET (0.45) MAPTGRM1EGFRLCKERBB2
SCHEMBL17300151 0.77 GCK (0.52) MAPTGRM1EGFRGCKLCK
SCHEMBL2889781 0.74 GCK (0.37) MAPTGRM1EGFRGCKLCK
SCHEMBL2891742 0.74 GCK (0.39) MAPTGRM1EGFRGCKLCK
SCHEMBL2887706 0.74 EGFR (0.41) MAPTGRM1EGFRGCKERBB2
SCHEMBL14667251 0.73 GCK (0.48) MAPTGRM1EGFRGCKLCK

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-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
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 MAPT 4375/4885GRM1 1431/4885EGFR 3484/4885

“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.