SCHEMBL9923331

SCHEMBL9923331

NC(=O)c1cnn2c(N=O)ccc2c1NC1CCCC1

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 18/20 0.61
JAK3 P52333 18/20 0.61
JAK2 O60674 8/20 0.61
TYK2 P29597 8/20 0.61
KCNH2 Q12809 1/20 0.40
ATM Q13315 1/20 0.40
ATR Q13535 1/20 0.40

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
SCHEMBL9923404 0.85 JAK3 (0.52) JAK1JAK3JAK2TYK2
SCHEMBL9923438 0.85 JAK3 (0.52) JAK1JAK3JAK2TYK2
SCHEMBL1160264 0.84 JAK1 (0.65) JAK1JAK3JAK2TYK2KCNH2
SCHEMBL9920343 0.83 JAK1 (0.63) JAK1JAK3JAK2TYK2
SCHEMBL1160315 0.79 JAK1 (0.58) JAK1JAK3JAK2TYK2KCNH2
SCHEMBL9923334 0.77 JAK1 (0.42) JAK1JAK3JAK2TYK2KCNH2
SCHEMBL9923333 0.77 PDE4B (0.47) JAK1JAK3JAK2TYK2
SCHEMBL9923091 0.77 JAK1 (0.67) JAK1JAK3JAK2TYK2
SCHEMBL1160243 0.76 JAK2 (1.00) JAK1JAK3JAK2TYK2
SCHEMBL1160440 0.75 JAK2 (0.98) 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-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 1/4885JAK3 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.