SCHEMBL2799535

SCHEMBL2799535

CCS(=O)(=O)c1ccc(-c2cccc3ncc(-c4cccc(NS(C)(=O)=O)c4)nc23)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 3/20 0.61
NPC1 O15118 3/20 0.61
RAB9A P51151 3/20 0.61
JAK3 P52333 2/20 0.49
JAK1 P23458 1/20 0.49
TYK2 P29597 1/20 0.49
TYRO3 Q06418 1/20 0.48
HSP90AA1 P07900 3/20 0.46
ALDH1A1 P00352 3/20 0.46
LMNA P02545 2/20 0.46
THRB P10828 2/20 0.46
GAA P10253 1/20 0.46
ATR Q13535 2/20 0.45
MAPK10 P53779 2/20 0.44
HTT P42858 1/20 0.43
HSP90AB1 P08238 1/20 0.43
FYN P06241 1/20 0.43
TP53 P04637 2/20 0.43
STAT1 P42224 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL2797600 0.79 JAK2 (0.51) JAK2NPC1RAB9AJAK3JAK1
SCHEMBL2800273 0.79 JAK2 (0.72) JAK2NPC1RAB9AJAK3TYRO3
SCHEMBL2799496 0.77 JAK2 (0.60) JAK2NPC1RAB9AJAK3JAK1
SCHEMBL2798916 0.77 JAK2 (0.77) JAK2JAK3JAK1TYK2FYN
SCHEMBL1463425 0.77 RAB9A (1.00) JAK2NPC1RAB9AJAK3TYRO3
SCHEMBL2800365 0.77 JAK2 (0.66) JAK2NPC1RAB9AJAK3JAK1
SCHEMBL11889767 0.77 JAK2 (0.55) JAK2JAK3JAK1TYK2ATR
SCHEMBL2797602 0.75 JAK2 (0.58) JAK2JAK3JAK1TYK2ALDH1A1
SCHEMBL2798952 0.74 JAK2 (0.72) JAK2NPC1RAB9AJAK3JAK1
SCHEMBL27797907 0.74 JAK2 (0.43) JAK2JAK3JAK1TYK2ATR

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 10 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-8193189-B2 Quinoxaline derivatives as tyrosine kinase activity inhibitors NOVARTIS AG (CH) 2012-06-05 US 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
US-20100168062-A1 Quinoxaline Derivatives as Tyrosine Kinase Activity Inhibitors NOVARTIS AG 2010-07-01 US disclosed
US-20100168062-A1 Quinoxaline Derivatives as Tyrosine Kinase Activity Inhibitors NOVARTIS AG 2010-07-01 US 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 1/4885NPC1 4739/4885RAB9A 434/4885

“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.