SCHEMBL9918772

SCHEMBL9918772

[C-]#[N+]CC1(n2cc(-c3cnnc4c3ccn4COC(=O)C(C)(C)C)cn2)CCCCC1

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 2/20 0.32
JAK3 P52333 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
SCHEMBL9918768 0.97 JAK1 (0.30) JAK1JAK3
SCHEMBL9918778 0.90
SCHEMBL9918779 0.90
SCHEMBL1504362 0.88 JAK2 (0.39) JAK1JAK3
SCHEMBL1504400 0.87 JAK2 (0.39) JAK1JAK3
SCHEMBL1504475 0.85 JAK2 (0.38) JAK1JAK3
SCHEMBL1504359 0.80 JAK2 (0.35) JAK1JAK3
SCHEMBL1504474 0.80 JAK2 (0.34) JAK1JAK3
SCHEMBL9921773 0.78 JAK2 (0.41) JAK1JAK3
SCHEMBL9921776 0.78 JAK2 (0.41) JAK1JAK3

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 3/4885

“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.