SCHEMBL2642400

SCHEMBL2642400

Cn1cnnc1Sc1cccc(Nc2ncnc3ccccc23)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCK P35557 2/20 0.48
MAP3K7 O43318 1/20 0.41
MAP3K6 O95382 1/20 0.41
MAP3K5 Q99683 1/20 0.41
ABCG2 Q9UNQ0 6/20 0.41
EGFR P00533 7/20 0.40
MAP4K4 O95819 2/20 0.40
LTK P29376 2/20 0.40
MAPK8 P45983 2/20 0.40
LIMK1 P53667 2/20 0.40
ACVR1 Q04771 2/20 0.40
DYRK1A Q13627 2/20 0.40
MAPK14 Q16539 2/20 0.40
LRRK2 Q5S007 2/20 0.40
AURKB Q96GD4 2/20 0.40
CLK4 Q9HAZ1 2/20 0.40
DYRK1B Q9Y463 2/20 0.40
DAPK3 O43293 1/20 0.40
ABL1 P00519 1/20 0.40
ERBB2 P04626 1/20 0.40

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
SCHEMBL2642397 0.75 GCK (0.68) GCKEGFRKDM4EHTTMAPK1
SCHEMBL3532616 0.72 GCK (0.40) GCKMAP4K4LMNAALDH1A1GAA
SCHEMBL2643427 0.70 GCK (0.70) GCKEGFRAURKBALDH1A1KDM4E
SCHEMBL2642091 0.69 GCK (0.68) GCKEGFR
SCHEMBL2642388 0.69 GCK (0.65) GCK
SCHEMBL6829258 0.68 EGFR (0.58) ABCG2EGFRMAP4K4LTKMAPK8
SCHEMBL2642266 0.68 GCK (0.68) GCKEGFRCLK4ERBB2KDM4E
SCHEMBL2642076 0.68 GCK (0.67) GCKEGFRLMNAHIF1AMAPK1
SCHEMBL2642518 0.67 GCK (0.48) GCKLMNAALDH1A1GAAKDM4E
SCHEMBL29941246 0.67 GCK (0.46) GCKLMNAALDH1A1GAAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 1/4885MAP3K7 98/4885MAP3K6 81/4885

“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.