SCHEMBL2795573

SCHEMBL2795573

Cc1cc(-c2cnc3cccc(-c4ccc(C(O)(O)N5CCSCC5)cc4)c3n2)ccc1C(=O)N1CCN(C)CC1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 11/20 0.63
JAK1 P23458 11/20 0.63
TYK2 P29597 11/20 0.63
JAK3 P52333 11/20 0.63
MAP4K1 Q92918 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MET P08581 1/20 0.37
SCN9A Q15858 1/20 0.37
ALDH1A1 P00352 2/20 0.36
NUAK1 O60285 1/20 0.36
KCNH2 Q12809 2/20 0.36
PIK3CD O00329 1/20 0.36
PIK3CA P42336 1/20 0.36
MTOR P42345 1/20 0.36
NPC1 O15118 1/20 0.36
TP53 P04637 1/20 0.36
HPGD P15428 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL2800853 0.92 JAK2 (0.65) JAK2JAK1TYK2JAK3KDM4E
SCHEMBL2802325 0.92 JAK2 (0.60) JAK2JAK1TYK2JAK3MAP4K1
SCHEMBL2800261 0.90 JAK2 (0.50) JAK2JAK1TYK2JAK3KDM4E
SCHEMBL2800367 0.90 JAK2 (0.60) JAK2JAK1TYK2JAK3MAP4K1
SCHEMBL2826310 0.83 JAK2 (0.66) JAK2JAK1TYK2JAK3KDM4E
SCHEMBL2800388 0.83 JAK2 (0.54) JAK2JAK1TYK2JAK3HPGD
SCHEMBL2798850 0.81 JAK2 (0.71) JAK2JAK1TYK2JAK3
SCHEMBL2800374 0.81 JAK2 (0.53) JAK2JAK1TYK2JAK3MET
SCHEMBL2797536 0.81 JAK2 (0.53) JAK2JAK1TYK2JAK3MAP4K1
SCHEMBL2800324 0.81 JAK2 (0.63) JAK2JAK1TYK2JAK3

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 2/4885TYK2 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.