SCHEMBL2799764

SCHEMBL2799764

CCN1CCN(C(=O)c2ccc(-c3cnc4cccc(Br)c4n3)cc2C)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 6/20 0.57
JAK1 P23458 6/20 0.57
TYK2 P29597 6/20 0.57
JAK3 P52333 6/20 0.57
NTRK1 P04629 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 3/20 0.41
USP2 O75604 2/20 0.41
HPGD P15428 2/20 0.41
POLB P06746 1/20 0.41
TSHR P16473 1/20 0.41
LMNA P02545 2/20 0.40
TP53 P04637 2/20 0.40
DYRK2 Q92630 2/20 0.40
DRD2 P14416 1/20 0.40
DRD3 P35462 1/20 0.40
KMT2A Q03164 1/20 0.39
MAPK1 P28482 2/20 0.39
SMN1; SMN2 Q16637 2/20 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
SCHEMBL2799963 0.90 JAK2 (0.64) JAK2JAK1TYK2JAK3KDM4E
SCHEMBL2800767 0.89 JAK2 (0.57) JAK2JAK1TYK2JAK3HPGD
SCHEMBL2798401 0.87 JAK2 (0.69) JAK2JAK1TYK2JAK3KDM4E
SCHEMBL2802052 0.82 JAK2 (0.53) JAK2JAK1TYK2JAK3ALDH1A1
SCHEMBL2798654 0.82 MAPT (0.43) JAK2JAK1TYK2JAK3L3MBTL1
SCHEMBL2798988 0.80 JAK2 (0.90) JAK2JAK1TYK2JAK3
SCHEMBL9100244 0.79 JAK2 (0.68) JAK2JAK1TYK2JAK3
SCHEMBL2800178 0.79 JAK2 (0.58) JAK2JAK1TYK2JAK3NTRK1
SCHEMBL2800182 0.79 JAK2 (0.66) JAK2JAK1TYK2JAK3L3MBTL1
SCHEMBL2798728 0.79 JAK2 (0.70) JAK2JAK1TYK2JAK3HPGD

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101678020-B Quinoxaline derivatives as inhibitors of the tyrosine kinase activity of Janus kinases NOVARTIS AG 2012-08-15 CN disclosed
EP-2155201-B1 QUINOXALINE DERIVATIVES AS INHIBITORS OF THE TYROSINE KINASE ACTIVITY OF JANUS KINASES NOVARTIS AG (CH) 2012-08-01 EP disclosed
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
CN-101678020-A Quinoxaline derivatives as inhibitors of the tyrosine kinase activity of Janus kinases NOVARTIS AG 2010-03-24 CN disclosed
EP-2155201-A2 QUINOXALINE DERIVATIVES AS INHIBITORS OF THE TYROSINE KINASE ACTIVITY OF JANUS KINASES Novartis Ag (CH) 2010-02-24 EP disclosed
WO-2008148867-A2 QUINOXALINE DERIVATIVES AS INHIBITORS OF THE TYROSINE KINASE ACTIVITY OF JANUS KINASES NOVARTIS AG (CH) 2008-12-11 WO 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 2/4885TYK2 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.