SCHEMBL9898577

SCHEMBL9898577

C[C@@H]1CCCC[C@@H]1Nc1c(C(N)=O)cnn2cccc12

nearest known ligand 0.73

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 20/20 0.73
JAK1 P23458 20/20 0.73
TYK2 P29597 20/20 0.73
JAK3 P52333 20/20 0.73

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
SCHEMBL1160441 1.00 JAK2 (0.73) JAK2JAK1TYK2JAK3
SCHEMBL9898575 1.00 JAK2 (0.73) JAK2JAK1TYK2JAK3
SCHEMBL16383097 0.98 JAK2 (0.70) JAK2JAK1TYK2JAK3
SCHEMBL16383098 0.98 JAK2 (0.70) JAK2JAK1TYK2JAK3
SCHEMBL1160258 0.90 JAK2 (0.58) JAK2JAK1TYK2JAK3
SCHEMBL9920287 0.89 JAK2 (0.57) JAK2JAK1TYK2JAK3
SCHEMBL9920283 0.89 JAK2 (0.57) JAK2JAK1TYK2JAK3
SCHEMBL1160387 0.89 JAK2 (0.57) JAK2JAK1TYK2JAK3
SCHEMBL9923424 0.89 JAK2 (0.77) JAK2JAK1TYK2JAK3
SCHEMBL9896921 0.88 JAK2 (0.56) JAK2JAK1TYK2JAK3

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 5 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 claimed
US-20120149691-A1 Pyrrolo [1,2-b] Pyridazine Derivatives as Janus Kinase Inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2012-06-14 US disclosed
US-20120149691-A1 Pyrrolo [1,2-b] Pyridazine Derivatives as Janus Kinase Inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2012-06-14 US disclosed
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 JAK2 2/4885JAK1 1/4885TYK2 10/4885

“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.