SCHEMBL2800837

SCHEMBL2800837

Brc1cccc2ncc(-c3cnn(C4CCOCC4)c3)nc12

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 2/20 0.52
JAK1 P23458 2/20 0.52
TYK2 P29597 2/20 0.52
JAK3 P52333 2/20 0.52
ABL1 P00519 1/20 0.52
MKNK1 Q9BUB5 1/20 0.45
MET P08581 2/20 0.45
IRAK4 Q9NWZ3 3/20 0.44
MTOR P42345 4/20 0.43
PIK3CA P42336 2/20 0.43
FLT3 P36888 2/20 0.42
FGFR4 P22455 1/20 0.42
FGFR3 P22607 1/20 0.42
KDR P35968 1/20 0.42
ALK Q9UM73 1/20 0.41
LRRK2 Q5S007 3/20 0.41
EGFR P00533 2/20 0.39
SYK P43405 1/20 0.39
IRAK1 P51617 1/20 0.37

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
SCHEMBL2800101 0.87 JAK2 (0.56) JAK2JAK1TYK2JAK3ABL1
SCHEMBL2800150 0.86 JAK2 (0.45) JAK2JAK1TYK2JAK3ABL1
SCHEMBL29590312 0.84 JAK1 (0.45) JAK2JAK1TYK2JAK3ABL1
SCHEMBL2800322 0.84 JAK1 (0.45) JAK2JAK1TYK2JAK3ABL1
SCHEMBL2799229 0.81 PIK3CA (0.49) JAK2JAK1TYK2JAK3ABL1
SCHEMBL24291840 0.80 EGFR (0.45) JAK2JAK1TYK2JAK3ABL1
SCHEMBL24289959 0.79 JAK2 (0.61) JAK2JAK1TYK2JAK3ABL1
SCHEMBL27866955 0.79 EGFR (0.42) JAK2JAK1TYK2JAK3ABL1
SCHEMBL27866956 0.79 JAK2 (0.41) JAK2JAK1TYK2JAK3ABL1
Tert-Butyl Formate SCHEMBL27776921 0.78 JAK2 (0.49) JAK2JAK1TYK2JAK3ABL1

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 2/4885TYK2 4/4885

“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.