SCHEMBL1160271

SCHEMBL1160271

C[C@H]1CCCC[C@H]1Nc1c(C(N)=O)cnn2cc(N)cc12

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 20/20 0.53
JAK1 P23458 19/20 0.53
JAK2 O60674 4/20 0.53
TYK2 P29597 3/20 0.53
KCNH2 Q12809 1/20 0.45

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
SCHEMBL1160604 1.00 JAK3 (0.53) JAK3JAK1JAK2TYK2KCNH2
SCHEMBL1160603 1.00 JAK3 (0.53) JAK3JAK1JAK2TYK2KCNH2
SCHEMBL9920301 0.89 JAK3 (0.41) JAK3JAK1JAK2TYK2
SCHEMBL9920307 0.89 JAK3 (0.41) JAK3JAK1JAK2TYK2
SCHEMBL9920249 0.89 JAK3 (0.53) JAK3JAK1JAK2TYK2KCNH2
SCHEMBL9923312 0.86 JAK3 (0.51) JAK3JAK1JAK2TYK2KCNH2
SCHEMBL9923042 0.86 JAK3 (0.51) JAK3JAK1JAK2TYK2KCNH2
SCHEMBL9923347 0.86 JAK3 (0.51) JAK3JAK1JAK2TYK2KCNH2
SCHEMBL1160277 0.85 JAK1 (0.71) JAK3JAK1JAK2TYK2
SCHEMBL9920304 0.85 JAK3 (0.38) JAK3JAK1JAK2TYK2

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 7 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
EP-2459562-A1 PYRROLO [1, 2-B]PYRIDAZINE DERIVATIVES AS JANUS KINASE INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 2012-06-06 EP claimed
WO-2011014817-A1 PYRROLO [1, 2-B] PYRIDAZINE DERIVATIVES AS JANUS KINASE INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 2011-02-03 WO 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 JAK3 3/4885JAK1 1/4885JAK2 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.