SCHEMBL2799644

SCHEMBL2799644

COc1cc(-c2cnc3cccc(Br)c3n2)ccc1OCCCN1CCOCC1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 9/20 0.64
JAK1 P23458 9/20 0.64
JAK3 P52333 8/20 0.64
TYK2 P29597 7/20 0.51
MAP3K11 Q16584 2/20 0.49
KDM4E B2RXH2 1/20 0.48
CYP2D6 P10635 1/20 0.47
TSHR P16473 1/20 0.47
GAK O14976 2/20 0.46
ABCB1 P08183 1/20 0.44
CYP3A4 P08684 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44
ADORA2A P29274 1/20 0.44
SRC P12931 1/20 0.43
GSK3B P49841 1/20 0.43
QPCT Q16769 1/20 0.43

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
SCHEMBL2801860 0.95 JAK2 (0.59) JAK2JAK1JAK3TYK2MAP3K11
SCHEMBL2800706 0.91 JAK2 (0.54) JAK2JAK1JAK3TYK2KDM4E
SCHEMBL2800200 0.85 MAPK1 (0.52) JAK2JAK1JAK3KDM4ETSHR
SCHEMBL2801204 0.83 JAK2 (0.89) JAK2JAK1JAK3TYK2MAP3K11
SCHEMBL2796581 0.82 JAK2 (0.43) JAK2JAK1JAK3TYK2KDM4E
SCHEMBL9099817 0.81 JAK2 (0.75) JAK2JAK1JAK3TYK2MAP3K11
SCHEMBL2799167 0.80 ALDH1A1 (0.50) JAK2JAK1JAK3TYK2KDM4E
SCHEMBL2796119 0.79 JAK2 (0.87) JAK2JAK1JAK3TYK2MAP3K11
SCHEMBL2796116 0.79 JAK2 (1.00) JAK2JAK1JAK3TYK2MAP3K11
SCHEMBL2798315 0.79 JAK2 (0.62) JAK2JAK1JAK3TYK2MAP3K11

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 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
EP-2155201-A2 QUINOXALINE DERIVATIVES AS INHIBITORS OF THE TYROSINE KINASE ACTIVITY OF JANUS KINASES Novartis Ag (CH) 2010-02-24 EP disclosed
WO-2008148867-A2 QUINOXALINE DERIVATIVES AS INHIBITORS OF THE TYROSINE KINASE ACTIVITY OF JANUS KINASES NOVARTIS AG (CH) 2008-12-11 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-20100168062-A1 Quinoxaline Derivatives as Tyrosine Kinase Activity Inhibitors JAK2, JAK1, JAK3 JAK2 1/4885JAK1 2/4885JAK3 3/4885

“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.