SCHEMBL2642489

SCHEMBL2642489

c1ccc(Sc2ccc3ncnc(Nc4nc5cccnc5s4)c3c2)nc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCK P35557 7/20 0.43
NPC1 O15118 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
RAB9A P51151 1/20 0.43
POLB P06746 1/20 0.39
EGFR P00533 2/20 0.38
CD38 P28907 1/20 0.37
CYP1A2 P05177 3/20 0.35
CYP3A4 P08684 2/20 0.35
MAPK1 P28482 2/20 0.35
ICAM1 P05362 1/20 0.35
SELE P16581 1/20 0.35
VCAM1 P19320 1/20 0.35
LMNA P02545 1/20 0.35
RAF1 P04049 1/20 0.35
HIF1A Q16665 1/20 0.35
CYP2D6 P10635 2/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 2/20 0.35
MEN1 O00255 1/20 0.35

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
SCHEMBL2642648 0.89 GCK (0.42) GCKNPC1SMN1; SMN2RAB9APOLB
SCHEMBL2642210 0.89 GCK (0.46) GCKNPC1SMN1; SMN2RAB9APOLB
SCHEMBL2642649 0.85 GCK (0.42) GCKNPC1SMN1; SMN2RAB9APOLB
SCHEMBL2642164 0.84 GCK (0.42) GCKNPC1SMN1; SMN2RAB9APOLB
SCHEMBL2642043 0.83 GCK (0.40) GCKNPC1SMN1; SMN2RAB9APOLB
SCHEMBL2642250 0.83 HTT (0.43) GCKNPC1EGFRCYP1A2CYP3A4
SCHEMBL2660952 0.82 PKM (0.40) GCKNPC1SMN1; SMN2RAB9APOLB
SCHEMBL2642200 0.82 GCK (0.53) GCKNPC1SMN1; SMN2RAB9APOLB
SCHEMBL2642677 0.82 GCK (0.42) GCKNPC1SMN1; SMN2RAB9APOLB
SCHEMBL2642607 0.82 GCK (0.44) GCKNPC1SMN1; SMN2RAB9APOLB

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
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

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 3557/4885SMN1; SMN2 4213/4885

“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.