SCHEMBL1160308

SCHEMBL1160308

CN(c1c(C#N)cnn2cccc12)C1CCCO1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 5/20 0.53
TYK2 P29597 5/20 0.53
CDK2 P24941 1/20 0.35
HTT P42858 2/20 0.34
KDM4E B2RXH2 2/20 0.34
RET P07949 8/20 0.33
JAK2 O60674 3/20 0.32
JAK3 P52333 3/20 0.32
IRAK4 Q9NWZ3 1/20 0.32
EPHB3 P54753 1/20 0.32
ALDH1A1 P00352 2/20 0.32
HPGD P15428 2/20 0.32
GLA P06280 1/20 0.32
GAA P10253 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL1160197 0.80 JAK2 (0.50) JAK1TYK2JAK2JAK3
SCHEMBL17122754 0.70 JAK1 (1.00) JAK1TYK2RETJAK2JAK3
SCHEMBL1160316 0.69 JAK1 (0.47) JAK1TYK2HTTKDM4EALDH1A1
SCHEMBL9898496 0.69 JAK1 (0.47) JAK1TYK2RETJAK2JAK3
SCHEMBL9923315 0.69 JAK1 (0.47) JAK1TYK2RETJAK2JAK3
SCHEMBL1160314 0.68 JAK1 (0.61) JAK1TYK2CDK2HTTJAK2
SCHEMBL1160605 0.67 JAK1 (0.54) JAK1TYK2HTTJAK2JAK3
SCHEMBL9923338 0.66 CDK2 (0.49) JAK1TYK2CDK2HTTKDM4E
SCHEMBL1160418 0.66 JAK1 (0.56) JAK1TYK2CDK2HTTRET
SCHEMBL1160281 0.65 JAK1 (0.64) 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 6 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
EP-2459562-A1 PYRROLO [1, 2-B]PYRIDAZINE DERIVATIVES AS JANUS KINASE INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 2012-06-06 EP 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 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.