SCHEMBL979253

SCHEMBL979253

NC(=O)c1nccc(-n2ccnn2)c1-c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK9 P45984 1/20 0.38
MAPK10 P53779 1/20 0.38
ADORA2A P29274 1/20 0.38
IKBKB O14920 2/20 0.36
ESR1 P03372 1/20 0.35
MAP2K1 Q02750 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35
DYRK1B Q9Y463 1/20 0.35
MAP2K3 P46734 1/20 0.35
MAP2 P11137 2/20 0.34
COMT P21964 2/20 0.34
NTRK1 P04629 1/20 0.34
PIM1 P11309 1/20 0.34
NOTUM Q6P988 3/20 0.33

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
SCHEMBL252956 0.84 IKBKB (0.40) MAPK9MAPK10IKBKBNOTUM
SCHEMBL6429867 0.80 MAPK9 (0.41) MAPK9MAPK10IKBKBMAP2K1CLK4
SCHEMBL979889 0.80 IKBKB (0.39) IKBKBMAP2
SCHEMBL979886 0.80 COMT (0.35) MAPK9MAPK10ADORA2AIKBKBESR1
SCHEMBL979249 0.79 MAPK9 (0.38) MAPK9MAPK10ADORA2AIKBKBESR1
SCHEMBL251661 0.79 CHEK2 (0.33) MAPK9MAPK10NOTUM
SCHEMBL16826514 0.78 KDM4A (0.36) MAPK9MAPK10NOTUM
SCHEMBL18039131 0.77 HCRTR1 (0.44) MAPK9MAPK10PIM1NOTUM
SCHEMBL1900472 0.75 ADORA2A (0.38) ADORA2AIKBKBMAP2K1CLK4DYRK1B
SCHEMBL4758723 0.74 HCRTR1 (0.36) ADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170196844-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS GILEAD SCIENCES, INC. 2017-07-13 US disclosed
US-9586932-B2 Apoptosis signal-regulating kinase inhibitors GILEAD SCIENCES, INC. (US) 2017-03-07 US disclosed
US-20160130251-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS GILEAD SCIENCES, INC. 2016-05-12 US disclosed
US-9067933-B2 Apoptosis signal-regulating kinase inhibitors GILEAD SCIENCES, INC. (US) 2015-06-30 US disclosed
US-20140018370-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS GILEAD SCIENCES, INC. 2014-01-16 US disclosed
US-8598360-B2 Apoptosis signal-regulating kinase inhibitors GILEAD SCIENCES, INC. (US) 2013-12-03 US disclosed
US-8552196-B2 Apoptosis signal-regulating kinase inhibitors GILEAD SCIENCES, INC. (US) 2013-10-08 US disclosed
US-8378108-B2 Apoptosis signal-regulating kinase inhibitors GILEAD SCIENCES, INC. (US) 2013-02-19 US disclosed
US-20130035339-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS GILEAD SCIENCES, INC (US) 2013-02-07 US disclosed
US-20130012521-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS GILEAD SCIENCES, INC. (US) 2013-01-10 US disclosed
US-20110009410-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS GILEAD SCIENCES, INC. (US) 2011-01-13 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-20140018370-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, CASP6 MAPK9 102/4885MAPK10 137/4885ADORA2A 3268/4885
US-20170196844-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, CASP6 MAPK9 102/4885MAPK10 137/4885ADORA2A 3268/4885
US-20110009410-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, AIFM1 MAPK9 99/4885MAPK10 141/4885ADORA2A 3246/4885
US-20160130251-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, CASP6 MAPK9 102/4885MAPK10 137/4885ADORA2A 3268/4885
US-20130035339-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, MAP3K6 MAPK9 101/4885MAPK10 135/4885ADORA2A 3127/4885
US-20130012521-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, CASP6 MAPK9 102/4885MAPK10 137/4885ADORA2A 3268/4885

“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.