SCHEMBL2800095

SCHEMBL2800095

COc1cc(-c2cnc3cccc(-c4ccc(C(O)(O)N5CCSCC5)c(F)c4)c3n2)ccc1OCCCN1CCOCC1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 16/20 0.64
JAK1 P23458 16/20 0.64
JAK3 P52333 14/20 0.64
TYK2 P29597 13/20 0.55
MET P08581 2/20 0.39
MAP3K11 Q16584 2/20 0.39
AURKA O14965 1/20 0.39
EGFR P00533 1/20 0.39
LCK P06239 1/20 0.39
CSF1R P07333 1/20 0.39
RPS6KB1 P23443 1/20 0.39
FLT4 P35916 1/20 0.39
KDR P35968 1/20 0.39
TEK Q02763 1/20 0.39
MST1R Q04912 1/20 0.39
BTK Q06187 1/20 0.39
ABL1 P00519 1/20 0.39

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
SCHEMBL2796117 0.93 JAK2 (0.67) JAK2JAK1JAK3TYK2MET
SCHEMBL2800235 0.89 JAK2 (0.49) JAK2JAK1JAK3TYK2MET
SCHEMBL2801204 0.83 JAK2 (0.89) JAK2JAK1JAK3TYK2MET
SCHEMBL2799758 0.81 JAK2 (0.47) JAK2JAK1JAK3TYK2
SCHEMBL2801006 0.81 JAK2 (0.51) JAK2JAK1JAK3TYK2ABL1
SCHEMBL2800094 0.80 JAK2 (0.76) JAK2JAK1JAK3TYK2MET
SCHEMBL2796119 0.80 JAK2 (0.87) JAK2JAK1JAK3TYK2MAP3K11
SCHEMBL2800098 0.79 JAK2 (0.87) JAK2JAK1JAK3TYK2MET
SCHEMBL2796116 0.78 JAK2 (1.00) JAK2JAK1JAK3TYK2MAP3K11
SCHEMBL2801573 0.78 JAK1 (0.67) JAK2JAK1JAK3TYK2MAP3K11

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 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

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.