SCHEMBL2800184

SCHEMBL2800184

COc1cc(-c2cnc3cccc(-c4ccc(S(C)(=O)=O)cc4C)c3n2)ccc1OCCN1CCOCC1

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 15/20 0.59
JAK1 P23458 15/20 0.59
JAK3 P52333 14/20 0.59
TYK2 P29597 13/20 0.59
MAP3K11 Q16584 2/20 0.48
ADORA2A P29274 1/20 0.42
ALDH1A1 P00352 1/20 0.42
KMT2A Q03164 1/20 0.42
BRD4 O60885 1/20 0.42

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
SCHEMBL2798315 0.86 JAK2 (0.62) JAK2JAK1JAK3TYK2MAP3K11
SCHEMBL2800176 0.84 JAK2 (0.62) JAK2JAK1JAK3TYK2MAP3K11
SCHEMBL2800802 0.84 JAK2 (0.60) JAK2JAK1JAK3TYK2MAP3K11
SCHEMBL2801860 0.82 JAK2 (0.59) JAK2JAK1JAK3TYK2MAP3K11
SCHEMBL2801053 0.80 JAK2 (0.47) JAK2JAK1JAK3TYK2ALDH1A1
SCHEMBL2799977 0.79 JAK2 (0.76) JAK2JAK1JAK3TYK2MAP3K11
SCHEMBL2799644 0.78 JAK2 (0.64) JAK2JAK1JAK3TYK2MAP3K11
SCHEMBL2801573 0.77 JAK1 (0.67) JAK2JAK1JAK3TYK2MAP3K11
SCHEMBL2801204 0.76 JAK2 (0.89) JAK2JAK1JAK3TYK2MAP3K11
SCHEMBL2798964 0.75 JAK2 (0.66) JAK2JAK1JAK3TYK2ALDH1A1

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 7 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
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.