SCHEMBL9918530

SCHEMBL9918530

N#CCOc1ccccc1Nc1c(C(N)=O)nnc2[nH]ccc12

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 2/20 0.38
JAK2 O60674 5/20 0.35
JAK1 P23458 4/20 0.35
JAK3 P52333 4/20 0.35
NUDT1 P36639 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
SYK P43405 3/20 0.33
GRK5 P34947 2/20 0.33
IGF1R P08069 2/20 0.33
TYK2 P29597 2/20 0.32
KCNH2 Q12809 1/20 0.32
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL9918521 0.84 IGF1R (0.34) LRRK2JAK2JAK1JAK3GRK5
SCHEMBL9918526 0.83 LRRK2 (0.43) LRRK2PDE4APDE4BPDE4CPDE4D
SCHEMBL9918529 0.78 JAK1 (0.34) JAK2JAK1JAK3SYKTYK2
SCHEMBL9918544 0.77 SMN1; SMN2 (0.44) LRRK2NUDT1SYKALDH1A1
SCHEMBL9918519 0.75 IGF1R (0.33) LRRK2JAK2JAK1JAK3SYK
SCHEMBL9918528 0.75 SYK (0.32) JAK2JAK1JAK3SYKIGF1R
SCHEMBL9918523 0.71 MAPT (0.41)
SCHEMBL9918522 0.71 CSF1R (0.38)
SCHEMBL12832928 0.68 LRRK2 (0.45) LRRK2JAK2JAK1JAK3NUDT1
SCHEMBL12832699 0.68 JAK2 (0.34) JAK2JAK1JAK3SYKTYK2

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-20120149662-A1 Heterocyclic Compounds as Janus Kinase Inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2012-06-14 US disclosed
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 1567/4885JAK2 1/4885JAK1 2/4885

“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.