SCHEMBL4932096

SCHEMBL4932096

c1ccc(CNc2cncc(-c3ccncc3)c2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.53
CLK4 Q9HAZ1 4/20 0.50
ROCK1 Q13464 4/20 0.50
GSK3B P49841 3/20 0.50
PRKACA P17612 3/20 0.50
DYRK1A Q13627 3/20 0.50
CLK2 P49760 2/20 0.50
GSK3A P49840 2/20 0.50
KDR P35968 1/20 0.50
CDK8 P49336 1/20 0.50
CDK9 P50750 1/20 0.50
CDK5 Q00535 1/20 0.50
PRKCQ Q04759 1/20 0.50
LRRK2 Q5S007 1/20 0.50
DYRK1B Q9Y463 1/20 0.50
ROCK2 O75116 4/20 0.49
MAP4K4 O95819 3/20 0.49
MKNK2 Q9HBH9 2/20 0.49
CDC7 O00311 1/20 0.49
LTA4H P09960 1/20 0.49

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
SCHEMBL13743125 0.92 KCNH2 (0.56) KCNH2CLK4KDRLTA4HCYP11B2
SCHEMBL4149080 0.85 AGER (0.44) KCNH2KDRLRRK2FYN
SCHEMBL4154749 0.85 ROCK2 (0.51) CLK4ROCK1GSK3BPRKACADYRK1A
SCHEMBL28563905 0.85 KCNH2 (0.51) KCNH2KDRLTA4HAKT1CYP11B2
SCHEMBL4160102 0.84 INSR (0.45) KCNH2KDRROCK2F2AKT1
SCHEMBL4155317 0.84 FYN (0.59) KCNH2CLK4ROCK1GSK3BPRKACA
SCHEMBL4160318 0.84 ROCK2 (0.48) ROCK1GSK3BGSK3AKDRCDK9
SCHEMBL4928868 0.82 KIF11 (0.49) KCNH2DYRK1AKDRROCK2
SCHEMBL4930265 0.82 CLK1 (0.49) KCNH2CLK4ROCK1GSK3BPRKACA
SCHEMBL4921246 0.82 FYN (0.50) KCNH2CLK4ROCK1GSK3BDYRK1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080194584-A1 Nitrogen Heteroaromatic Compounds Which Bind To The Active Site Of Protein Kinase Enzymes GALAPAGOS NV (BE) 2008-08-14 US 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-20080194584-A1 Nitrogen Heteroaromatic Compounds Which Bind To The Active Site Of Protein Kinase Enzymes ROCK1, TNK2, GRK1 KCNH2 2138/4885CLK4 382/4885ROCK1 1/4885

“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.