SCHEMBL9922973

SCHEMBL9922973

Cc1cnc(C(CC(C)C)Nc2c(C#N)cnn3cccc23)s1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 4/20 0.39
TYK2 P29597 4/20 0.39
CDK2 P24941 1/20 0.35
JAK2 O60674 2/20 0.34
JAK3 P52333 2/20 0.34
MAP4K4 O95819 2/20 0.33
CTSA P10619 3/20 0.32
GUCY1B2 O75343 1/20 0.32
GUCY1A2 P33402 1/20 0.32
GUCY1A1 Q02108 1/20 0.32
GUCY1B1 Q02153 1/20 0.32
MAP2K1 Q02750 2/20 0.32
LRRK2 Q5S007 2/20 0.32
EPHB3 P54753 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
SCHEMBL1160037 0.85 JAK1 (0.38) JAK1TYK2CDK2JAK2JAK3
SCHEMBL9920326 0.83 JAK2 (0.33) JAK1TYK2JAK2JAK3MAP4K4
SCHEMBL9920450 0.69 JAK2 (0.33) JAK1TYK2JAK2JAK3MAP4K4
SCHEMBL1160348 0.67 JAK2 (0.56) JAK1TYK2JAK2JAK3
SCHEMBL9923338 0.64 CDK2 (0.49) JAK1TYK2CDK2MAP4K4MAP2K1
SCHEMBL1160527 0.64 MAP2K1 (0.53) JAK1TYK2CDK2MAP2K1EPHB3
SCHEMBL14017228 0.64 CDK2 (0.45) JAK1TYK2CDK2JAK2JAK3
SCHEMBL1160511 0.62 JAK1 (0.35) JAK1TYK2CDK2JAK2JAK3
SCHEMBL1160281 0.60 JAK1 (0.64) JAK1TYK2CDK2JAK2JAK3
SCHEMBL1160492 0.60 JAK1 (0.63) JAK1TYK2CDK2JAK2JAK3

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 10/4885CDK2 423/4885

“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.