SCHEMBL2797600

SCHEMBL2797600

CCOc1ccc(-c2cnc3cccc(-c4ccc(NS(C)(=O)=O)cc4)c3n2)cc1OCC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 9/20 0.51
JAK1 P23458 8/20 0.51
JAK3 P52333 7/20 0.51
TYK2 P29597 6/20 0.51
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
MAPK10 P53779 4/20 0.47
DHFR P00374 1/20 0.44
PIP4K2A P48426 1/20 0.40
PIP4K2B P78356 1/20 0.40
PIP4K2C Q8TBX8 1/20 0.40
IDO1 P14902 1/20 0.40
TDO2 P48775 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
HSP90AA1 P07900 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
NPSR1 Q6W5P4 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
SCHEMBL2801049 0.85 JAK2 (0.49) JAK2JAK1JAK3TYK2NPC1
SCHEMBL2798952 0.83 JAK2 (0.72) JAK2JAK1JAK3TYK2NPC1
SCHEMBL2800802 0.79 JAK2 (0.60) JAK2JAK1JAK3TYK2
SCHEMBL2799535 0.79 JAK2 (0.61) JAK2JAK1JAK3TYK2NPC1
SCHEMBL2801053 0.79 JAK2 (0.47) JAK2JAK1JAK3TYK2NPC1
SCHEMBL2800701 0.79 JAK2 (0.47) JAK2JAK1JAK3TYK2NPC1
SCHEMBL2801385 0.75 S1PR1 (0.48) NPC1RAB9AKDM4EALDH1A1LMNA
SCHEMBL2798964 0.74 JAK2 (0.66) JAK2JAK1JAK3TYK2ALDH1A1
SCHEMBL2797602 0.72 JAK2 (0.58) JAK2JAK1JAK3TYK2MAPK10
SCHEMBL2797470 0.72 JAK2 (0.77) JAK2JAK1JAK3TYK2KDM4E

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 1/4885JAK1 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.