SCHEMBL9918563

SCHEMBL9918563

C[C@H]1CCCC[C@H]1Nc1c(C(=N)N)nnc2[nH]ccc12

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 15/20 0.58
JAK2 O60674 5/20 0.58
JAK1 P23458 5/20 0.58
KCNH2 Q12809 2/20 0.35
LCK P06239 1/20 0.35
TYK2 P29597 1/20 0.35
HPGDS O60760 1/20 0.34
SYK P43405 1/20 0.34

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
SCHEMBL9918564 1.00 JAK3 (0.58) JAK3JAK2JAK1KCNH2LCK
SCHEMBL9918565 1.00 JAK3 (0.58) JAK3JAK2JAK1KCNH2LCK
SCHEMBL9918473 0.88 JAK3 (0.67) JAK3JAK2JAK1KCNH2TYK2
SCHEMBL9918475 0.88 JAK3 (0.67) JAK3JAK2JAK1KCNH2TYK2
SCHEMBL9921988 0.88 JAK3 (0.67) JAK3JAK2JAK1KCNH2TYK2
SCHEMBL9918660 0.81 JAK3 (0.57) JAK3JAK2JAK1LCKTYK2
SCHEMBL9918568 0.78 JAK3 (0.50) JAK3JAK2JAK1LCKTYK2
SCHEMBL12832701 0.78 JAK3 (0.54) JAK3JAK2JAK1TYK2
SCHEMBL9918569 0.77 JAK3 (0.47) JAK3JAK2JAK1KCNH2
SCHEMBL9918571 0.75 JAK3 (0.37) JAK3JAK2JAK1KCNH2

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 JAK3 3/4885JAK2 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.