SCHEMBL9923078

SCHEMBL9923078

CC1CCN(C(=O)C2(C#N)CC2)CC1N(C)c1c(C(N)=O)cnn2cccc12

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 20/20 0.44
JAK3 P52333 20/20 0.44
JAK2 O60674 14/20 0.44
TYK2 P29597 14/20 0.44

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
SCHEMBL9920275 0.94 JAK3 (0.40) JAK1JAK3JAK2TYK2
SCHEMBL9920276 0.87 JAK2 (0.43) JAK1JAK3JAK2TYK2
SCHEMBL9920269 0.85 JAK3 (0.53) JAK1JAK3JAK2TYK2
SCHEMBL12395133 0.81 JAK3 (0.44) JAK1JAK3JAK2TYK2
SCHEMBL9920272 0.81 JAK1 (0.57) JAK1JAK3JAK2TYK2
SCHEMBL9920264 0.78 JAK3 (0.51) JAK1JAK3JAK2TYK2
SCHEMBL9920438 0.77 JAK2 (0.46) JAK1JAK3JAK2TYK2
SCHEMBL9920274 0.76 JAK1 (0.50) JAK1JAK3JAK2TYK2
SCHEMBL9921768 0.73 JAK3 (0.50) JAK1JAK3JAK2TYK2
SCHEMBL1851473 0.72 JAK3 (0.41) 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 2 patents. 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
WO-2011014817-A1 PYRROLO [1, 2-B] PYRIDAZINE DERIVATIVES AS JANUS KINASE INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 2011-02-03 WO 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 1/4885JAK3 3/4885JAK2 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.