SCHEMBL9918526

SCHEMBL9918526

CC(C#N)Oc1ccccc1Nc1c(C(N)=O)nnc2[nH]ccc12

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 10/20 0.43
MKNK2 Q9HBH9 1/20 0.37
SYK P43405 1/20 0.34
TTK P33981 1/20 0.33
IGF1R P08069 1/20 0.33
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
GRK5 P34947 3/20 0.33
KCNH2 Q12809 1/20 0.32
SCN5A Q14524 1/20 0.32

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
SCHEMBL9918530 0.83 LRRK2 (0.38) LRRK2SYKIGF1RPDE4APDE4B
SCHEMBL9921648 0.78 LRRK2 (0.39) LRRK2MKNK2SYKTTKPDE4A
SCHEMBL9918544 0.76 SMN1; SMN2 (0.44) LRRK2SYK
SCHEMBL9918524 0.73 TTBK1 (0.41) LRRK2
SCHEMBL9918528 0.73 SYK (0.32) SYKIGF1RKCNH2
SCHEMBL9918521 0.72 IGF1R (0.34) LRRK2IGF1RGRK5
SCHEMBL9918518 0.71 LRRK2 (0.37) LRRK2
SCHEMBL9918519 0.71 IGF1R (0.33) LRRK2SYKIGF1RGRK5KCNH2
SCHEMBL12832928 0.70 LRRK2 (0.45) LRRK2
SCHEMBL9918481 0.70 LRRK2 (0.42) LRRK2

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-20120149662-A1 Heterocyclic Compounds as Janus Kinase Inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2012-06-14 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-20120149662-A1 Heterocyclic Compounds as Janus Kinase Inhibitors JAK2, JAK1, JAK3 LRRK2 1567/4885MKNK2 108/4885SYK 87/4885

“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.