SCHEMBL9918474

SCHEMBL9918474

C[C@@]12C[C@H]3CC(O)(C1)C[C@@](Nc1c(C(N)=O)nnc4[nH]ccc14)(C3)C2

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 12/20 0.45
JAK3 P52333 11/20 0.45
JAK2 O60674 10/20 0.45
TYK2 P29597 4/20 0.39
LRRK2 Q5S007 1/20 0.39
EPHX2 P34913 3/20 0.32
HDAC8 Q9BY41 2/20 0.32
HDAC6 Q9UBN7 2/20 0.32
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32
PTGS2 P35354 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
SCHEMBL9918492 1.00 JAK1 (0.45) JAK1JAK3JAK2TYK2LRRK2
SCHEMBL12832959 0.81 JAK3 (0.43) JAK1JAK3JAK2TYK2LRRK2
SCHEMBL12832953 0.81 JAK3 (0.43) JAK1JAK3JAK2TYK2LRRK2
SCHEMBL9918497 0.79 JAK2 (0.34) JAK1JAK3JAK2
SCHEMBL9918494 0.74 JAK2 (0.50) JAK1JAK3JAK2TYK2LRRK2
SCHEMBL9918495 0.73 JAK2 (0.44) JAK1JAK3JAK2TYK2LRRK2
SCHEMBL9918480 0.72 JAK3 (0.55) JAK1JAK3JAK2TYK2LRRK2
SCHEMBL12832936 0.69 JAK2 (0.36) JAK1JAK3JAK2TYK2
SCHEMBL12832928 0.69 LRRK2 (0.45) JAK1JAK3JAK2TYK2LRRK2
SCHEMBL12888264 0.68 JAK2 (0.80) JAK1JAK3JAK2TYK2

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 JAK1 2/4885JAK3 3/4885JAK2 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.