SCHEMBL2800769

SCHEMBL2800769

Cc1cc(-c2cccc3ncc(-c4cnn(C5CCNCC5)c4)nc23)ccc1CN1CCOCC1

nearest known ligand 0.74

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 13/20 0.74
JAK1 P23458 13/20 0.74
JAK3 P52333 12/20 0.74
TYK2 P29597 11/20 0.74
ABL1 P00519 1/20 0.74
MET P08581 2/20 0.42
IRAK4 Q9NWZ3 2/20 0.41
IRAK1 P51617 1/20 0.41
MAP4K3 Q8IVH8 1/20 0.40
LRRK2 Q5S007 1/20 0.40
FGFR1 P11362 1/20 0.40
FGFR2 P21802 1/20 0.40
FGFR4 P22455 1/20 0.40
FGFR3 P22607 1/20 0.40
KDR P35968 1/20 0.40
FLT3 P36888 1/20 0.40

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
Tert-Butyl Formate SCHEMBL27797807 0.93 JAK2 (0.66) JAK2JAK1JAK3TYK2ABL1
SCHEMBL2799482 0.91 JAK2 (0.84) JAK2JAK1JAK3TYK2ABL1
SCHEMBL2800824 0.87 JAK2 (0.78) JAK2JAK1JAK3TYK2ABL1
SCHEMBL2801134 0.86 JAK2 (0.72) JAK2JAK1JAK3TYK2ABL1
SCHEMBL2800088 0.86 JAK2 (0.61) JAK2JAK1JAK3TYK2ABL1
Tert-Butyl Formate SCHEMBL27866960 0.86 JAK2 (0.73) JAK2JAK1JAK3TYK2ABL1
SCHEMBL2800994 0.85 JAK2 (1.00) JAK2JAK1JAK3TYK2ABL1
SCHEMBL29409512 0.85 JAK2 (1.00) JAK2JAK1JAK3TYK2ABL1
SCHEMBL27797806 0.85 JAK2 (0.60) JAK2JAK1JAK3TYK2ABL1
Hydrochloric Acid SCHEMBL23860571 0.85 JAK2 (0.98) JAK2JAK1JAK3TYK2ABL1

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101678020-B Quinoxaline derivatives as inhibitors of the tyrosine kinase activity of Janus kinases NOVARTIS AG 2012-08-15 CN claimed
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
CN-101678020-B Quinoxaline derivatives as inhibitors of the tyrosine kinase activity of Janus kinases NOVARTIS AG 2012-08-15 CN 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
CN-101678020-A Quinoxaline derivatives as inhibitors of the tyrosine kinase activity of Janus kinases NOVARTIS AG 2010-03-24 CN 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.