SCHEMBL2802198

SCHEMBL2802198

O=C(O)c1ccc(-c2cnc3cccc(-c4cc(F)c(C(O)(O)N5CCSCC5)c(F)c4)c3n2)cn1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 17/20 0.44
JAK1 P23458 17/20 0.44
JAK3 P52333 16/20 0.44
TYK2 P29597 15/20 0.44
HPGD P15428 1/20 0.39
ABL1 P00519 1/20 0.36
PARP1 P09874 1/20 0.34
GRIN2B Q13224 1/20 0.32

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
SCHEMBL2801360 0.89 JAK2 (0.45) JAK2JAK1JAK3TYK2ABL1
SCHEMBL2800460 0.84 JAK2 (0.62) JAK2JAK1JAK3TYK2
SCHEMBL2798305 0.82 JAK2 (0.62) JAK2JAK1JAK3TYK2
SCHEMBL2800367 0.81 JAK2 (0.60) JAK2JAK1JAK3TYK2
SCHEMBL2798850 0.81 JAK2 (0.71) JAK2JAK1JAK3TYK2ABL1
SCHEMBL2800394 0.81 JAK2 (0.46) JAK2JAK1JAK3TYK2PARP1
SCHEMBL2799829 0.80 JAK2 (0.51) JAK2JAK1JAK3TYK2GRIN2B
SCHEMBL2799458 0.80 JAK2 (0.41) JAK2JAK1JAK3TYK2ABL1
SCHEMBL11889879 0.80 JAK2 (0.40) JAK2JAK1JAK3TYK2ABL1
SCHEMBL2799307 0.80 JAK2 (0.44) 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 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.