SCHEMBL2801280

SCHEMBL2801280

O=C(Cc1ccc(-c2cccc3ncc(-c4ccc(OCCCN5CCOCC5)cc4)nc23)cc1)N1CCOCC1

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 11/20 0.67
JAK1 P23458 11/20 0.67
JAK3 P52333 9/20 0.67
TYK2 P29597 8/20 0.67
MAPK1 P28482 2/20 0.50
PIK3CA P42336 1/20 0.50
MAPK8 P45983 1/20 0.50
MAPK9 P45984 1/20 0.50
MAPK10 P53779 1/20 0.50
HRH3 Q9Y5N1 4/20 0.49
EPHX2 P34913 2/20 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
SCHEMBL9099817 0.88 JAK2 (0.75) JAK2JAK1JAK3TYK2
SCHEMBL2799398 0.85 JAK2 (0.71) JAK2JAK1JAK3TYK2MAPK1
SCHEMBL2799977 0.84 JAK2 (0.76) JAK2JAK1JAK3TYK2
SCHEMBL2800280 0.82 JAK1 (0.66) JAK2JAK1JAK3TYK2MAPK1
SCHEMBL2797470 0.80 JAK2 (0.77) JAK2JAK1JAK3TYK2
SCHEMBL2798724 0.80 JAK2 (1.00) JAK2JAK1JAK3TYK2
SCHEMBL2800200 0.78 MAPK1 (0.52) JAK2JAK1JAK3MAPK1PIK3CA
SCHEMBL2800303 0.78 JAK2 (0.66) JAK2JAK1JAK3TYK2
SCHEMBL2795882 0.77 JAK2 (0.63) JAK2JAK1JAK3TYK2MAPK1
SCHEMBL2795880 0.77 JAK2 (0.59) JAK2JAK1JAK3TYK2MAPK1

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 10 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-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 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.