SCHEMBL9980437

SCHEMBL9980437

CCOC(C)n1cc(-c2c(C#N)cnn3cc([N+](=O)[O-])cc23)cn1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 2/20 0.39
JAK1 P23458 1/20 0.39
TYK2 P29597 1/20 0.39
JAK3 P52333 1/20 0.39
GLA P06280 1/20 0.33
CD274 Q9NZQ7 1/20 0.33
RET P07949 5/20 0.31
PIK3CD O00329 1/20 0.31
PIK3CA P42336 1/20 0.31
PIK3CB P42338 1/20 0.31
KDM5A P29375 1/20 0.30
MAP3K5 Q99683 2/20 0.30

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
SCHEMBL14791047 0.83 JAK2 (0.38) JAK2JAK1TYK2JAK3CD274
SCHEMBL12066111 0.83 JAK2 (0.42) JAK2JAK1TYK2JAK3CD274
SCHEMBL12066267 0.82 JAK2 (0.38) JAK2JAK1TYK2JAK3CD274
SCHEMBL12066232 0.81 JAK2 (0.37) JAK2JAK1TYK2JAK3CD274
SCHEMBL14794970 0.79 JAK2 (0.38) JAK2JAK1TYK2JAK3CD274
SCHEMBL9980521 0.79 TYK2 (0.45) JAK2JAK1TYK2JAK3CD274
SCHEMBL12067322 0.78 JAK2 (0.37) JAK2JAK1TYK2JAK3CD274
SCHEMBL12067264 0.77 VCAM1 (0.33) RETPIK3CDPIK3CAPIK3CBKDM5A
SCHEMBL12066078 0.76 JAK2 (0.45) JAK2JAK1TYK2JAK3RET
SCHEMBL14794967 0.74 JAK2 (0.36) JAK2JAK1TYK2JAK3CD274

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
EP-2576561-A1 HETEROCYCLIC COMPOUNDS AS JANUS KINASE INHIBITORS Biocryst Pharmaceuticals, Inc. (US) 2013-04-10 EP disclosed
US-20130071415-A1 Heterocyclic Compounds as Janus Kinase Inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2013-03-21 US disclosed
US-20130071415-A1 Heterocyclic Compounds as Janus Kinase Inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2013-03-21 US disclosed
WO-2011150356-A1 HETEROCYCLIC COMPOUNDS AS JANUS KINASE INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 2011-12-01 WO disclosed
WO-2011150356-A1 HETEROCYCLIC COMPOUNDS AS JANUS KINASE INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 2011-12-01 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-20130071415-A1 Heterocyclic Compounds as Janus Kinase Inhibitors JAK2, JAK1, JAK3 JAK2 1/4885JAK1 2/4885TYK2 59/4885

“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.