SCHEMBL9921648

SCHEMBL9921648

CC(C#N)Oc1ccccc1Nc1c(C(N)=O)nnc2c1CCN2

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 9/20 0.39
MKNK2 Q9HBH9 1/20 0.35
SYK P43405 1/20 0.35
NNMT P40261 2/20 0.33
CCNA2 P20248 3/20 0.32
CDK2 P24941 3/20 0.32
PLK1 P53350 3/20 0.32
CCNA1 P78396 3/20 0.32
PLK3 Q9H4B4 3/20 0.32
PLK2 Q9NYY3 3/20 0.32
TTK P33981 2/20 0.32
AURKA O14965 1/20 0.32
EGFR P00533 1/20 0.32
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
HSD17B10 Q99714 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
SCHEMBL9918526 0.78 LRRK2 (0.43) LRRK2MKNK2SYKTTKPDE4A
SCHEMBL9920225 0.67 JAK2 (0.53)
SCHEMBL11635133 0.65 BRD4 (0.49) HSD17B10
SCHEMBL11633395 0.62 GAA (0.48) HSD17B10
SCHEMBL10568887 0.61 LMNA (0.42) EGFR
SCHEMBL10572368 0.61 MAPT (0.40) HSD17B10
SCHEMBL4325991 0.58 SLC6A3 (0.50) HSD17B10
SCHEMBL9922004 0.58 KDM4E (0.41)
SCHEMBL7837258 0.58 CA1 (0.52)
SCHEMBL9918544 0.56 SMN1; SMN2 (0.44) LRRK2SYKCCNA2CDK2PLK1

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.