SCHEMBL2801860

SCHEMBL2801860

COc1cc(-c2cnc3cccc(Br)c3n2)ccc1OCCN1CCOCC1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 9/20 0.59
JAK1 P23458 9/20 0.59
JAK3 P52333 8/20 0.59
MAP3K11 Q16584 2/20 0.54
TYK2 P29597 7/20 0.52
ADORA2A P29274 2/20 0.48
PRKAB2 O43741 1/20 0.47
PRKAG1 P54619 1/20 0.47
PRKAA2 P54646 1/20 0.47
PRKAA1 Q13131 1/20 0.47
PRKAG3 Q9UGI9 1/20 0.47
PRKAG2 Q9UGJ0 1/20 0.47
PRKAB1 Q9Y478 1/20 0.47
GAK O14976 2/20 0.46
KIT P10721 1/20 0.46
PDPK1 O15530 1/20 0.44
ABCB1 P08183 1/20 0.44

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
SCHEMBL2799644 0.95 JAK2 (0.64) JAK2JAK1JAK3MAP3K11TYK2
SCHEMBL2800706 0.86 JAK2 (0.54) JAK2JAK1JAK3TYK2
SCHEMBL2798315 0.83 JAK2 (0.62) JAK2JAK1JAK3MAP3K11TYK2
SCHEMBL2796581 0.82 JAK2 (0.43) JAK2JAK1JAK3TYK2PDPK1
SCHEMBL2800176 0.82 JAK2 (0.62) JAK2JAK1JAK3MAP3K11TYK2
SCHEMBL2800184 0.82 JAK2 (0.59) JAK2JAK1JAK3MAP3K11TYK2
SCHEMBL2800802 0.81 JAK2 (0.60) JAK2JAK1JAK3MAP3K11TYK2
SCHEMBL2799167 0.81 ALDH1A1 (0.50) JAK2JAK1JAK3TYK2
SCHEMBL2799977 0.81 JAK2 (0.76) JAK2JAK1JAK3MAP3K11TYK2
SCHEMBL2800200 0.80 MAPK1 (0.52) JAK2JAK1JAK3PRKAB2PRKAG1

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.