SCHEMBL2630429

SCHEMBL2630429

COc1cc2nc(-c3c[nH]c4ncccc34)nc(NC(C)(C)C(=O)NCCF)c2cc1OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK9 P50750 3/20 0.43
ROCK2 O75116 2/20 0.43
ROCK1 Q13464 2/20 0.43
JAK3 P52333 2/20 0.43
PLK4 O00444 1/20 0.43
JAK2 O60674 1/20 0.43
STK10 O94804 1/20 0.43
ABL1 P00519 1/20 0.43
PRKCB P05771 1/20 0.43
MET P08581 1/20 0.43
TOP2A P11388 1/20 0.43
PRKCA P17252 1/20 0.43
CSNK2A2 P19784 1/20 0.43
JAK1 P23458 1/20 0.43
MARK3 P27448 1/20 0.43
TYK2 P29597 1/20 0.43
ABL2 P42684 1/20 0.43
CDK17 Q00537 1/20 0.43
TOP2B Q02880 1/20 0.43
PRKCD Q05655 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
SCHEMBL17425393 0.94 CDK9 (0.42) CDK9ROCK2ROCK1JAK3PLK4
SCHEMBL2630432 0.93 LATS1 (0.49) CDK9ROCK2ROCK1JAK3PLK4
SCHEMBL2630430 0.90 JAK3 (0.55) CDK9ROCK2ROCK1JAK3PLK4
SCHEMBL2630431 0.90 JAK3 (0.43) CDK9ROCK2ROCK1JAK3PLK4
SCHEMBL2630263 0.86 KIT (0.35) CHEK1CHEK2
SCHEMBL2630405 0.81 JAK3 (0.52) CDK9ROCK2ROCK1JAK3PLK4
SCHEMBL2630265 0.79 KDR (0.37) LATS1LATS2DYRK1AKDR
SCHEMBL2630417 0.78 JAK3 (0.64) CDK9ROCK2ROCK1JAK3PLK4
SCHEMBL13059457 0.77 JAK3 (0.40) CDK9ROCK2ROCK1JAK3PLK4
SCHEMBL2630423 0.77 JAK3 (0.60) CDK9ROCK2ROCK1JAK3PLK4

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
EP-1973911-B1 AZAINDOLES USEFUL FOR THE TREATMENT OF (INTER ALIA) PROLIFERATIVE, CARDIAC, NEURODEGENERATIVE, AUTOIMMUNE OR INFLAMMATORY DISORDERS VERTEX PHARMA (US) 2016-01-13 EP 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-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 (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 CDK9 72/4885ROCK2 243/4885ROCK1 339/4885
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 CDK9 140/4885ROCK2 328/4885ROCK1 211/4885
US-20120165307-A1 AZAINDOLES USEFUL AS INHIBITORS OF JANUS KINASES JAK3, JAK1, JAK2 CDK9 72/4885ROCK2 243/4885ROCK1 339/4885
US-20130237516-A1 AZAINDOLES USEFUL AS INHIBITORS OF JANUS KINASES JAK3, JAK1, JAK2 CDK9 72/4885ROCK2 243/4885ROCK1 339/4885
US-20100311743-A1 Azaindoles Useful as Inhibitors of Janus Kinases JAK3, JAK1, JAK2 CDK9 72/4885ROCK2 243/4885ROCK1 339/4885

“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.