SCHEMBL9920334

SCHEMBL9920334

[C-]#[N+]c1cnn2cccc2c1NC1CCCC1

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 16/20 0.59
TYK2 P29597 16/20 0.59
JAK2 O60674 15/20 0.59
JAK3 P52333 15/20 0.59
IRAK4 Q9NWZ3 1/20 0.38

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
SCHEMBL9920341 0.99 JAK1 (0.58) JAK1TYK2JAK2JAK3IRAK4
SCHEMBL9920333 0.99 JAK1 (0.58) JAK1TYK2JAK2JAK3IRAK4
SCHEMBL9920347 0.89 JAK1 (0.47) JAK1TYK2JAK2JAK3IRAK4
SCHEMBL9920337 0.89 JAK1 (0.50) JAK1TYK2JAK2JAK3IRAK4
SCHEMBL9920349 0.87 JAK1 (0.49) JAK1TYK2JAK2JAK3
SCHEMBL9920345 0.87 JAK1 (0.47) JAK1TYK2JAK2JAK3
SCHEMBL9920446 0.84 JAK2 (0.43) JAK1TYK2JAK2JAK3
SCHEMBL9920361 0.84 JAK2 (0.43) JAK1TYK2JAK2JAK3
SCHEMBL9920346 0.84 JAK1 (0.43) JAK1TYK2JAK2JAK3
SCHEMBL9920445 0.84 JAK2 (0.43) JAK1TYK2JAK2JAK3

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-20120149691-A1 Pyrrolo [1,2-b] Pyridazine Derivatives 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-20120149691-A1 Pyrrolo [1,2-b] Pyridazine Derivatives as Janus Kinase Inhibitors JAK1, JAK2, JAK3 JAK1 1/4885TYK2 10/4885JAK2 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.