SCHEMBL978876

SCHEMBL978876

NC(=O)c1ncc(C2CC2)c(-c2nnc[nH]2)c1-c1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 4/20 0.33
CHUK O15111 1/20 0.33
ADORA2A P29274 1/20 0.33
CAMKK2 Q96RR4 5/20 0.32
SGK1 O00141 1/20 0.32
AURKA O14965 1/20 0.32
CAMKK1 Q8N5S9 1/20 0.32
SGK3 Q96BR1 1/20 0.32
SGK2 Q9HBY8 1/20 0.32
BTK Q06187 2/20 0.32
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32
TYK2 P29597 1/20 0.32
JAK3 P52333 1/20 0.32
MAP2 P11137 2/20 0.32
SYK P43405 3/20 0.31
CHEK2 O96017 1/20 0.31
LRRK2 Q5S007 1/20 0.31
TSSK3 Q96PN8 1/20 0.31

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
SCHEMBL979102 0.87 MEN1 (0.33) BTKSYKCHEK2
SCHEMBL15153029 0.86 IKBKB (0.35) IKBKBBTKCHEK2
SCHEMBL980674 0.82 MAP2 (0.32) IKBKBADORA2AJAK1JAK3MAP2
SCHEMBL986288 0.75 FYN (0.38) IKBKBCHUKADORA2AAURKASGK2
SCHEMBL986290 0.75 DYRK1B (0.39) IKBKBADORA2AJAK2MAP2
SCHEMBL3971167 0.74 ADORA2A (0.41) IKBKBCHUKADORA2ACAMKK2CAMKK1
SCHEMBL985188 0.72 PARP1 (0.38) CAMKK2BTKSYK
SCHEMBL977785 0.70 PDK2 (0.34) SYKCHEK2
SCHEMBL15153040 0.69 RPS6KB1 (0.34) IKBKBCHEK2LRRK2
SCHEMBL998166 0.69 PDE10A (0.36) LRRK2

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 IKBKB 169/4885CHUK 82/4885ADORA2A 3268/4885
US-20170196844-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, CASP6 IKBKB 169/4885CHUK 82/4885ADORA2A 3268/4885
US-20110009410-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, AIFM1 IKBKB 149/4885CHUK 77/4885ADORA2A 3246/4885
US-20160130251-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, CASP6 IKBKB 169/4885CHUK 82/4885ADORA2A 3268/4885
US-20130035339-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, MAP3K6 IKBKB 163/4885CHUK 78/4885ADORA2A 3127/4885
US-20130012521-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, CASP6 IKBKB 169/4885CHUK 82/4885ADORA2A 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.