SCHEMBL2799666

SCHEMBL2799666

COc1cc(-c2cnc3cccc(-c4ccc(C(O)(O)N5CCSCC5)cc4)c3n2)cc(OC)c1OC

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 14/20 0.58
JAK1 P23458 13/20 0.58
JAK3 P52333 11/20 0.58
TYK2 P29597 10/20 0.58
NEK2 P51955 2/20 0.36
PDGFRB P09619 1/20 0.35
BRD4 O60885 1/20 0.35
RAB9A P51151 1/20 0.35
PARP1 P09874 1/20 0.35

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
SCHEMBL2798758 0.84 JAK2 (0.42) JAK2JAK1JAK3TYK2
SCHEMBL11890128 0.83 JAK2 (0.41) JAK2JAK1JAK3TYK2NEK2
SCHEMBL2797536 0.80 JAK2 (0.53) JAK2JAK1JAK3TYK2RAB9A
SCHEMBL2800374 0.78 JAK2 (0.53) JAK2JAK1JAK3TYK2BRD4
SCHEMBL2800261 0.77 JAK2 (0.50) JAK2JAK1JAK3TYK2PARP1
SCHEMBL2799758 0.76 JAK2 (0.47) JAK2JAK1JAK3TYK2
SCHEMBL2801006 0.76 JAK2 (0.51) JAK2JAK1JAK3TYK2
SCHEMBL2795573 0.76 JAK2 (0.63) JAK2JAK1JAK3TYK2RAB9A
SCHEMBL2800235 0.76 JAK2 (0.49) JAK2JAK1JAK3TYK2
SCHEMBL2800853 0.75 JAK2 (0.65) JAK2JAK1JAK3TYK2

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.