SCHEMBL2642617

SCHEMBL2642617

Cc1cnc(Nc2ncnc3ccc(Sc4ncccc4Cl)cc23)cn1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GCK P35557 5/20 0.43
MAPK1 P28482 2/20 0.42
USP2 O75604 2/20 0.42
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2D6 P10635 2/20 0.42
TSHR P16473 2/20 0.42
CYP2C19 P33261 2/20 0.42
CLK4 Q9HAZ1 2/20 0.42
LMNA P02545 1/20 0.42
DRD1 P21728 1/20 0.38
EGFR P00533 7/20 0.37
CD38 P28907 2/20 0.37
KDM4E B2RXH2 1/20 0.37
HTT P42858 1/20 0.37
ERBB2 P04626 2/20 0.36
ERBB4 Q15303 1/20 0.36
DYRK1A Q13627 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
SCHEMBL2642441 0.81 GCK (0.65) GCKDRD1EGFRERBB2ERBB4
SCHEMBL2642310 0.81 GCK (0.43) GCKMAPK1USP2CYP1A2CYP3A4
SCHEMBL2660082 0.78 GCK (0.68) GCKMAPK1USP2CYP1A2CYP3A4
SCHEMBL2642266 0.74 GCK (0.68) GCKMAPK1USP2CYP1A2CYP3A4
SCHEMBL2642152 0.72 GCK (0.50) GCKMAPK1LMNAEGFRKDM4E
SCHEMBL2642615 0.70 DRD1 (0.36) MAPK1USP2CYP1A2CYP3A4CYP2D6
SCHEMBL2892520 0.67 GCK (0.53) GCKEGFR
SCHEMBL2889578 0.66 GCK (0.49) GCKEGFRERBB2
SCHEMBL2884230 0.64 GCK (0.51) GCKEGFRERBB2
SCHEMBL2887973 0.64 GCK (0.49) GCKMAPK1USP2CYP1A2CYP3A4

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 6 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-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 1/4885MAPK1 280/4885USP2 3904/4885

“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.