SCHEMBL2630221

SCHEMBL2630221

CC(C)[C@@H](Nc1ccnc(-c2c[nH]c3ncc(Cl)cc23)n1)C(=O)NC1CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 2/20 0.41
PIM2 Q9P1W9 2/20 0.41
BTK Q06187 1/20 0.39
CDC7 O00311 1/20 0.39
CHEK1 O14757 1/20 0.39
MAPK13 O15264 1/20 0.39
PDPK1 O15530 1/20 0.39
DAPK3 O43293 1/20 0.39
DYRK3 O43781 1/20 0.39
JAK2 O60674 1/20 0.39
ROCK2 O75116 1/20 0.39
PRKD3 O94806 1/20 0.39
PAK4 O96013 1/20 0.39
CHEK2 O96017 1/20 0.39
EGFR P00533 1/20 0.39
ERBB2 P04626 1/20 0.39
PRKCG P05129 1/20 0.39
CDK1 P06493 1/20 0.39
FES P07332 1/20 0.39
CSF1R P07333 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
SCHEMBL2630373 0.88 JAK2 (0.41) PIM1PIM2JAK2PIM3
SCHEMBL2630105 0.86 JAK3 (0.40) PIM1PIM2JAK2ROCK2MARK3
SCHEMBL10037012 0.86 JAK3 (0.40) PIM1PIM2JAK2ROCK2MARK3
SCHEMBL2630213 0.84 JAK2 (0.39) PIM1PIM2JAK2ROCK2MARK3
SCHEMBL16233103 0.84 JAK2 (0.40) PIM1PIM2JAK2ROCK2MARK3
SCHEMBL2630107 0.83 JAK2 (0.38) PIM1PIM2JAK2ROCK2MARK3
SCHEMBL2630372 0.83 JAK2 (0.39) PIM1PIM2JAK2ROCK2MARK3
SCHEMBL10036982 0.83 JAK2 (0.39) PIM1PIM2JAK2ROCK2MARK3
SCHEMBL2630058 0.83 JAK3 (0.49) JAK2ROCK2MARK3CDK9JAK3
SCHEMBL2630216 0.81 JAK3 (0.42) JAK2ROCK2MARK3CDK9JAK3

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 20 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
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-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-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-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 PIM1 515/4885PIM2 413/4885BTK 53/4885
US-20140336171-A1 AZAINDOLES USEFUL AS INHIBITORS OF JANUS KINASES JAK3, JAK1, JAK2 PIM1 515/4885PIM2 413/4885BTK 53/4885
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 PIM1 455/4885PIM2 551/4885BTK 96/4885
US-20120165307-A1 AZAINDOLES USEFUL AS INHIBITORS OF JANUS KINASES JAK3, JAK1, JAK2 PIM1 515/4885PIM2 413/4885BTK 53/4885
US-20130237516-A1 AZAINDOLES USEFUL AS INHIBITORS OF JANUS KINASES JAK3, JAK1, JAK2 PIM1 515/4885PIM2 413/4885BTK 53/4885
US-20100311743-A1 Azaindoles Useful as Inhibitors of Janus Kinases JAK3, JAK1, JAK2 PIM1 515/4885PIM2 413/4885BTK 53/4885

“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.