SCHEMBL2800261

SCHEMBL2800261

CN1CCN(C(=O)c2cccc(-c3cnc4cccc(-c5ccc(C(O)(O)N6CCSCC6)cc5)c4n3)c2)CC1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 9/20 0.50
JAK1 P23458 9/20 0.50
TYK2 P29597 9/20 0.50
JAK3 P52333 9/20 0.50
PIK3CA P42336 2/20 0.46
MTOR P42345 2/20 0.46
KCNH2 Q12809 2/20 0.46
PIK3CD O00329 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.44
KDM4E B2RXH2 1/20 0.44
PARP1 P09874 1/20 0.44
ATR Q13535 1/20 0.44
ADORA2A P29274 1/20 0.42
MET P08581 2/20 0.41
FYN P06241 1/20 0.40

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
SCHEMBL2795573 0.90 JAK2 (0.63) JAK2JAK1TYK2JAK3PIK3CA
SCHEMBL2800394 0.88 JAK2 (0.46) JAK2JAK1TYK2JAK3PIK3CA
SCHEMBL2800374 0.83 JAK2 (0.53) JAK2JAK1TYK2JAK3PIK3CA
SCHEMBL2797536 0.83 JAK2 (0.53) JAK2JAK1TYK2JAK3L3MBTL1
SCHEMBL2802325 0.81 JAK2 (0.60) JAK2JAK1TYK2JAK3PIK3CA
SCHEMBL2800853 0.81 JAK2 (0.65) JAK2JAK1TYK2JAK3KDM4E
SCHEMBL2798758 0.81 JAK2 (0.42) JAK2JAK1TYK2JAK3MET
SCHEMBL2800367 0.80 JAK2 (0.60) JAK2JAK1TYK2JAK3KDM4E
SCHEMBL2799307 0.78 JAK2 (0.44) JAK2JAK1TYK2JAK3KDM4E
SCHEMBL2799666 0.77 JAK2 (0.58) JAK2JAK1TYK2JAK3PARP1

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-2155201-B1 QUINOXALINE DERIVATIVES AS INHIBITORS OF THE TYROSINE KINASE ACTIVITY OF JANUS KINASES NOVARTIS AG (CH) 2012-08-01 EP claimed
US-8193189-B2 Quinoxaline derivatives as tyrosine kinase activity inhibitors NOVARTIS AG (CH) 2012-06-05 US claimed
EP-2155201-B1 QUINOXALINE DERIVATIVES AS INHIBITORS OF THE TYROSINE KINASE ACTIVITY OF JANUS KINASES NOVARTIS AG (CH) 2012-08-01 EP disclosed
US-8193189-B2 Quinoxaline derivatives as tyrosine kinase activity inhibitors NOVARTIS AG (CH) 2012-06-05 US disclosed
US-20100168062-A1 Quinoxaline Derivatives as Tyrosine Kinase Activity Inhibitors NOVARTIS AG 2010-07-01 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-20100168062-A1 Quinoxaline Derivatives as Tyrosine Kinase Activity Inhibitors JAK2, JAK1, JAK3 JAK2 1/4885JAK1 2/4885TYK2 4/4885

“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.