SCHEMBL2630237

SCHEMBL2630237

O=C(NCC(F)(F)F)[C@H]1CCCN1c1ccnc(-c2c[nH]c3ncc(F)cc23)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 9/20 0.42
GSK3A P49840 2/20 0.41
GSK3B P49841 2/20 0.41
JAK2 O60674 3/20 0.41
SRC P12931 1/20 0.41
FLT3 P36888 1/20 0.41
PLK4 O00444 1/20 0.40
ROCK2 O75116 1/20 0.40
STK10 O94804 1/20 0.40
ABL1 P00519 1/20 0.40
PRKCB P05771 1/20 0.40
MET P08581 1/20 0.40
TOP2A P11388 1/20 0.40
PRKCA P17252 1/20 0.40
CSNK2A2 P19784 1/20 0.40
JAK1 P23458 1/20 0.40
MARK3 P27448 1/20 0.40
TYK2 P29597 1/20 0.40
ABL2 P42684 1/20 0.40
CDK9 P50750 1/20 0.40

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
SCHEMBL2630056 0.91 JAK3 (0.41) JAK3JAK2PLK4ROCK2STK10
SCHEMBL2630054 0.91 JAK3 (0.41) JAK3JAK2PLK4ROCK2STK10
SCHEMBL2630065 0.89 JAK3 (0.41) JAK3JAK2PLK4ROCK2STK10
SCHEMBL14236482 0.88 JAK3 (0.42) JAK3JAK2PLK4ROCK2STK10
SCHEMBL2630243 0.86 JAK3 (0.43) JAK3GSK3AGSK3BJAK2SRC
SCHEMBL2630246 0.86 CTSS (0.40) JAK3GSK3AGSK3BJAK2SRC
SCHEMBL17425367 0.86 GSK3A (0.47) GSK3AGSK3BJAK2SRCFLT3
SCHEMBL2630077 0.86 JAK3 (0.42) JAK3JAK2PLK4ROCK2STK10
SCHEMBL14236634 0.85 JAK3 (0.42) JAK3JAK2PLK4ROCK2STK10
SCHEMBL2630215 0.83 NOS2 (0.37)

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 21 patents — showing the first 20. 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-9120790-B2 Azaindoles useful as inhibitors of Janus kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-09-01 US disclosed
US-9120790-B2 Azaindoles useful as inhibitors of Janus kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-09-01 US disclosed
US-20140336171-A1 AZAINDOLES USEFUL AS INHIBITORS OF JANUS KINASES VERTEX PHARMACEUTICALS INCORPORATED 2014-11-13 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-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 (6 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 JAK3 1/4885GSK3A 530/4885GSK3B 616/4885
US-20140336171-A1 AZAINDOLES USEFUL AS INHIBITORS OF JANUS KINASES JAK3, JAK1, JAK2 JAK3 1/4885GSK3A 530/4885GSK3B 616/4885
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 JAK3 2/4885GSK3A 106/4885GSK3B 110/4885
US-20120165307-A1 AZAINDOLES USEFUL AS INHIBITORS OF JANUS KINASES JAK3, JAK1, JAK2 JAK3 1/4885GSK3A 530/4885GSK3B 616/4885
US-20130237516-A1 AZAINDOLES USEFUL AS INHIBITORS OF JANUS KINASES JAK3, JAK1, JAK2 JAK3 1/4885GSK3A 530/4885GSK3B 616/4885
US-20100311743-A1 Azaindoles Useful as Inhibitors of Janus Kinases JAK3, JAK1, JAK2 JAK3 1/4885GSK3A 530/4885GSK3B 616/4885

“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.