SCHEMBL9923044

SCHEMBL9923044

BN1CCC(C)C(Nc2c(C#N)cnn3cccc23)C1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 14/20 0.50
TYK2 P29597 13/20 0.50
JAK3 P52333 12/20 0.37
JAK2 O60674 11/20 0.37
RET P07949 3/20 0.35
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
NPSR1 Q6W5P4 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
SCHEMBL1160181 0.84 JAK1 (0.53) JAK1TYK2JAK3JAK2
SCHEMBL9899010 0.84 JAK1 (0.53) JAK1TYK2JAK3JAK2
SCHEMBL9897077 0.84 JAK1 (0.53) JAK1TYK2JAK3JAK2
SCHEMBL1160347 0.83 JAK1 (0.47) JAK1TYK2RET
SCHEMBL9923088 0.80 JAK2 (0.62) JAK1TYK2JAK3JAK2
SCHEMBL9923428 0.77 JAK1 (0.53) JAK1TYK2JAK3JAK2
SCHEMBL1160281 0.75 JAK1 (0.64) JAK1TYK2JAK3JAK2
SCHEMBL12875537 0.75 JAK1 (0.51) JAK1TYK2JAK3JAK2
SCHEMBL1160504 0.75 JAK1 (0.64) JAK1TYK2JAK3JAK2
SCHEMBL1160503 0.74 JAK1 (0.63) JAK1TYK2JAK3JAK2

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 10/4885JAK3 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.