SCHEMBL2800280

SCHEMBL2800280

O=C(c1ccc(-c2cccc3ncc(-c4ccc(OCCCN5CCOCC5)cc4)nc23)cc1F)N1CCOCC1

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 13/20 0.66
JAK2 O60674 12/20 0.66
JAK3 P52333 11/20 0.66
TYK2 P29597 11/20 0.66
HRH3 Q9Y5N1 3/20 0.51
MAPK1 P28482 1/20 0.48
PIK3CA P42336 1/20 0.48
MAPK8 P45983 1/20 0.48
MAPK9 P45984 1/20 0.48
MAPK10 P53779 1/20 0.48
KCNH2 Q12809 1/20 0.47
ALOX5AP P20292 2/20 0.46
FEN1 P39748 2/20 0.46
MIF P14174 1/20 0.46
ABL1 P00519 1/20 0.46

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
SCHEMBL2795882 0.94 JAK2 (0.63) JAK1JAK2JAK3TYK2HRH3
SCHEMBL2795880 0.94 JAK2 (0.59) JAK1JAK2JAK3TYK2HRH3
SCHEMBL2801573 0.85 JAK1 (0.67) JAK1JAK2JAK3TYK2ALOX5AP
SCHEMBL2801280 0.82 JAK2 (0.67) JAK1JAK2JAK3TYK2HRH3
SCHEMBL2802306 0.82 JAK1 (0.67) JAK1JAK2JAK3TYK2ALOX5AP
SCHEMBL9886005 0.81 JAK1 (0.84) JAK1JAK2JAK3TYK2
SCHEMBL2798298 0.79 JAK2 (1.00) JAK1JAK2JAK3TYK2ALOX5AP
SCHEMBL2797450 0.79 JAK2 (1.00) JAK1JAK2JAK3TYK2ALOX5AP
SCHEMBL2825770 0.79 JAK2 (0.73) JAK1JAK2JAK3TYK2MAPK1
SCHEMBL2800303 0.79 JAK2 (0.66) JAK1JAK2JAK3TYK2MIF

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 11 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
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-8193189-B2 Quinoxaline derivatives as tyrosine kinase activity inhibitors NOVARTIS AG (CH) 2012-06-05 US 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
US-20100168062-A1 Quinoxaline Derivatives as Tyrosine Kinase Activity Inhibitors NOVARTIS AG 2010-07-01 US disclosed
US-20100168062-A1 Quinoxaline Derivatives as Tyrosine Kinase Activity Inhibitors NOVARTIS AG 2010-07-01 US 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 JAK1 2/4885JAK2 1/4885JAK3 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.