SCHEMBL979249

SCHEMBL979249

NC(=O)c1nccc(-c2ccccc2)c1-n1ccnn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK9 P45984 2/20 0.38
MAPK10 P53779 1/20 0.38
ADORA2A P29274 1/20 0.38
COMT P21964 1/20 0.38
KDM4E B2RXH2 1/20 0.36
ATM Q13315 1/20 0.36
BCAT2 O15382 2/20 0.36
IKBKB O14920 3/20 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
PIM1 P11309 2/20 0.34
NTRK1 P04629 1/20 0.34
CHEK2 O96017 2/20 0.33
FYN P06241 1/20 0.33
CHUK O15111 1/20 0.33
IKBKE Q14164 1/20 0.33
PKMYT1 Q99640 1/20 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
SCHEMBL252954 0.83 IKBKB (0.39) MAPK9MAPK10IKBKBCHEK2FYN
SCHEMBL6429861 0.80 BCAT2 (0.51) MAPK9MAPK10BCAT2IKBKBDYRK1B
SCHEMBL979253 0.79 MAPK9 (0.38) MAPK9MAPK10ADORA2ACOMTIKBKB
SCHEMBL251659 0.79 CHEK2 (0.36) MAPK9MAPK10CHEK2PKMYT1CYP3A4
SCHEMBL16826512 0.78 KDM4A (0.36) MAPK9MAPK10CHEK2
SCHEMBL979886 0.77 COMT (0.35) MAPK9MAPK10ADORA2ACOMTKDM4E
SCHEMBL1900466 0.75 ADORA2A (0.38) ADORA2ACOMTKDM4EATMBCAT2
SCHEMBL27830182 0.74 HNF4A (0.47) BCAT2NOTUMALDH1A1
SCHEMBL23067311 0.72 MAP2K3 (0.50) ADORA2AKDM4EATMBCAT2IKBKB
SCHEMBL2848953 0.72 ADORA2A (0.46) MAPK10ADORA2AKDM4EATMBCAT2

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.