SCHEMBL2642210

SCHEMBL2642210

c1cnc(Sc2ccc3ncnc(Nc4nc5cccnc5s4)c3c2)nc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCK P35557 4/20 0.46
NPC1 O15118 2/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
EGFR P00533 5/20 0.42
POLB P06746 1/20 0.41
PDK1 Q15118 1/20 0.36
PDE10A Q9Y233 1/20 0.35
MAPK1 P28482 2/20 0.35
LMNA P02545 1/20 0.35
RAF1 P04049 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
HIF1A Q16665 1/20 0.35
CD38 P28907 2/20 0.35
PIP4K2A P48426 1/20 0.35
PIP4K2C Q8TBX8 1/20 0.35
KDM4E B2RXH2 1/20 0.34
HTT P42858 1/20 0.34
ERBB2 P04626 2/20 0.34

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
SCHEMBL2642489 0.89 GCK (0.43) GCKNPC1RAB9ASMN1; SMN2EGFR
SCHEMBL2642164 0.87 GCK (0.42) GCKNPC1RAB9ASMN1; SMN2EGFR
SCHEMBL2642648 0.86 GCK (0.42) GCKNPC1RAB9ASMN1; SMN2EGFR
SCHEMBL2642649 0.86 GCK (0.42) GCKNPC1RAB9ASMN1; SMN2EGFR
SCHEMBL2642677 0.84 GCK (0.42) GCKNPC1RAB9ASMN1; SMN2EGFR
SCHEMBL2642607 0.84 GCK (0.44) GCKNPC1RAB9ASMN1; SMN2EGFR
SCHEMBL2642200 0.84 GCK (0.53) GCKNPC1RAB9ASMN1; SMN2EGFR
SCHEMBL2642250 0.83 HTT (0.43) GCKNPC1EGFRLMNACYP1A2
SCHEMBL2642043 0.83 GCK (0.40) GCKNPC1RAB9ASMN1; SMN2EGFR
SCHEMBL2642252 0.83 GCK (0.71) GCKNPC1RAB9ASMN1; SMN2EGFR

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 1/4885NPC1 3557/4885RAB9A 1818/4885

“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.