SCHEMBL2630355

SCHEMBL2630355

CSC[C@H](Nc1nc(-c2c[nH]c3ncc(Cl)cc23)nc2ccccc12)C(=O)NCC(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 3/20 0.42
CAMK2G Q13555 2/20 0.39
CAMK2D Q13557 2/20 0.39
SLK Q9H2G2 2/20 0.39
PRKD3 O94806 1/20 0.39
MAP4K4 O95819 1/20 0.39
EGFR P00533 1/20 0.39
NTRK1 P04629 1/20 0.39
LCK P06239 1/20 0.39
FYN P06241 1/20 0.39
AXL P30530 1/20 0.39
FLT4 P35916 1/20 0.39
KDR P35968 1/20 0.39
FLT3 P36888 1/20 0.39
FRK P42685 1/20 0.39
CLK2 P49760 1/20 0.39
MAP4K2 Q12851 1/20 0.39
CAMK2B Q13554 1/20 0.39
PTK6 Q13882 1/20 0.39
NTRK3 Q16288 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
SCHEMBL2630048 0.89 JAK2 (0.42) JAK2CAMK2GCAMK2DSLKDYRK1B
SCHEMBL2630358 0.87 JAK2 (0.40) JAK2CAMK2GCAMK2DSLKPRKD3
SCHEMBL2630354 0.83 JAK3 (0.47) JAK2CAMK2GCAMK2DSLKJAK3
SCHEMBL2630041 0.82 JAK2 (0.46) JAK2CAMK2GCAMK2DSLKDYRK1B
SCHEMBL8943394 0.82 JAK2 (0.43) JAK2DYRK1BALDH1A1JAK3
SCHEMBL2630250 0.80 JAK2 (0.56) JAK2CAMK2GCAMK2DSLKDYRK1B
SCHEMBL13060035 0.80 JAK3 (0.41) JAK2CAMK2GCAMK2DSLKDYRK1B
SCHEMBL2630071 0.80
SCHEMBL2630063 0.78
SCHEMBL10036996 0.78

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
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-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 JAK2 3/4885CAMK2G 785/4885CAMK2D 756/4885
US-20140336171-A1 AZAINDOLES USEFUL AS INHIBITORS OF JANUS KINASES JAK3, JAK1, JAK2 JAK2 3/4885CAMK2G 785/4885CAMK2D 756/4885
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 JAK2 5/4885CAMK2G 239/4885CAMK2D 174/4885
US-20120165307-A1 AZAINDOLES USEFUL AS INHIBITORS OF JANUS KINASES JAK3, JAK1, JAK2 JAK2 3/4885CAMK2G 785/4885CAMK2D 756/4885
US-20130237516-A1 AZAINDOLES USEFUL AS INHIBITORS OF JANUS KINASES JAK3, JAK1, JAK2 JAK2 3/4885CAMK2G 785/4885CAMK2D 756/4885
US-20100311743-A1 Azaindoles Useful as Inhibitors of Janus Kinases JAK3, JAK1, JAK2 JAK2 3/4885CAMK2G 785/4885CAMK2D 756/4885

“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.