SCHEMBL2630224

SCHEMBL2630224

CC(C)(Nc1nc(-c2c[nH]c3ncc(F)cc23)ncc1F)C(=O)NCC(F)(F)F

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 7/20 0.51
GSK3B P49841 7/20 0.51
JAK2 O60674 7/20 0.51
FLT3 P36888 6/20 0.51
SRC P12931 4/20 0.51
PIK3CG P48736 5/20 0.48
JAK3 P52333 3/20 0.48
ROCK2 O75116 5/20 0.48
ROCK1 Q13464 5/20 0.48
KDR P35968 3/20 0.48
PIK3CD O00329 3/20 0.48
PLK1 P53350 3/20 0.48
PRKACA P17612 2/20 0.48
IRAK4 Q9NWZ3 2/20 0.48
CDK2 P24941 1/20 0.48
PIK3CA P42336 2/20 0.47
PIK3CB P42338 1/20 0.47
SYK P43405 1/20 0.47
PLK4 O00444 1/20 0.46
STK10 O94804 1/20 0.46

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
SCHEMBL2630040 0.91
SCHEMBL2630225 0.91 GSK3A (0.53) GSK3AGSK3BJAK2FLT3SRC
SCHEMBL2630188 0.90 JAK2 (0.56) GSK3AGSK3BJAK2FLT3SRC
SCHEMBL2630327 0.89 JAK2 (0.44) GSK3AGSK3BJAK2FLT3SRC
SCHEMBL2630226 0.89 GSK3A (0.51) GSK3AGSK3BJAK2FLT3SRC
SCHEMBL2630227 0.88 GSK3A (0.51) GSK3AGSK3BJAK2FLT3SRC
SCHEMBL5635275 0.87 JAK3 (0.47) GSK3AGSK3BJAK2FLT3SRC
SCHEMBL2630421 0.86 JAK3 (0.63) JAK2JAK3ROCK2ROCK1PLK4
SCHEMBL2630180 0.85 JAK3 (0.61) GSK3AGSK3BJAK2FLT3SRC
SCHEMBL2630280 0.85 JAK2 (0.46) GSK3AGSK3BJAK2FLT3SRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160008359-A1 AZAINDOLES USEFUL AS INHIBITORS OF JANUS KINASES VERTEX PHARMACEUTICALS INCORPORATED 2016-01-14 US disclosed
US-20160008359-A1 AZAINDOLES USEFUL AS INHIBITORS OF JANUS KINASES VERTEX PHARMACEUTICALS INCORPORATED 2016-01-14 US disclosed
US-8822681-B2 Azaindoles useful as inhibitors of janus kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-09-02 US disclosed
US-8822681-B2 Azaindoles useful as inhibitors of janus kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-09-02 US disclosed
US-20130237516-A1 AZAINDOLES USEFUL AS INHIBITORS OF JANUS KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-09-12 US disclosed
US-20130237516-A1 AZAINDOLES USEFUL AS INHIBITORS OF JANUS KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-09-12 US disclosed
US-8450489-B2 Azaindoles useful as inhibitors of janus kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-05-28 US disclosed
US-8450489-B2 Azaindoles useful as inhibitors of janus kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-05-28 US disclosed
EP-2537849-A2 Azaindoles useful as inhibitors of janus kinases Vertex Pharmaceuticals, Inc. (US) 2012-12-26 EP disclosed
US-20120165307-A1 AZAINDOLES USEFUL AS INHIBITORS OF JANUS KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-06-28 US disclosed
US-20120165307-A1 AZAINDOLES USEFUL AS INHIBITORS OF JANUS KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-06-28 US disclosed
US-8163917-B2 Azaindoles useful as inhibitors of Janus kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-04-24 US disclosed
US-8163917-B2 Azaindoles useful as inhibitors of Janus kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-04-24 US disclosed
US-20100311743-A1 Azaindoles Useful as Inhibitors of Janus Kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-12-09 US disclosed
US-20100311743-A1 Azaindoles Useful as Inhibitors of Janus Kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-12-09 US disclosed
US-7767816-B2 for treating proliferative disorders, cardiac disorders, neurodegenerative disorders, autoimmune disorders, conditions associated with organ transplantation, inflammatory disorders, and/or immunologically mediated disorders VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-08-03 US disclosed
US-7767816-B2 for treating proliferative disorders, cardiac disorders, neurodegenerative disorders, autoimmune disorders, conditions associated with organ transplantation, inflammatory disorders, and/or immunologically mediated disorders VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-08-03 US disclosed
US-20070203142-A1 for treating proliferative disorders, cardiac disorders, neurodegenerative disorders, autoimmune disorders, conditions associated with organ transplantation, inflammatory disorders, and/or immunologically mediated disorders VERTEX PHARMACEUTICALS INCORPORATED 2007-08-30 US disclosed
US-20070203142-A1 for treating proliferative disorders, cardiac disorders, neurodegenerative disorders, autoimmune disorders, conditions associated with organ transplantation, inflammatory disorders, and/or immunologically mediated disorders VERTEX PHARMACEUTICALS INCORPORATED 2007-08-30 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 (5 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-20160008359-A1 AZAINDOLES USEFUL AS INHIBITORS OF JANUS KINASES JAK3, JAK1, JAK2 GSK3A 530/4885GSK3B 616/4885JAK2 3/4885
US-20070203142-A1 for treating proliferative disorders, cardiac disorders, neurodegenerative disorders, autoimmune disorders, conditions associated with organ transplantation, inflammatory disorders, and/or immunologically mediated disorders JAK1, JAK3, MYLK2 GSK3A 106/4885GSK3B 110/4885JAK2 5/4885
US-20120165307-A1 AZAINDOLES USEFUL AS INHIBITORS OF JANUS KINASES JAK3, JAK1, JAK2 GSK3A 530/4885GSK3B 616/4885JAK2 3/4885
US-20130237516-A1 AZAINDOLES USEFUL AS INHIBITORS OF JANUS KINASES JAK3, JAK1, JAK2 GSK3A 530/4885GSK3B 616/4885JAK2 3/4885
US-20100311743-A1 Azaindoles Useful as Inhibitors of Janus Kinases JAK3, JAK1, JAK2 GSK3A 530/4885GSK3B 616/4885JAK2 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.