SCHEMBL979889

SCHEMBL979889

NC(=O)c1ncc(-n2ccnn2)c(-c2cccnc2)c1-c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 2/20 0.39
MKNK1 Q9BUB5 7/20 0.39
MKNK2 Q9HBH9 6/20 0.39
ATR Q13535 2/20 0.37
CYP3A4 P08684 1/20 0.37
KMO O15229 1/20 0.36
MAP2 P11137 1/20 0.36
IRAK4 Q9NWZ3 1/20 0.35
F12 P00748 1/20 0.34
F7 P08709 1/20 0.34
F3 P13726 1/20 0.34
SARM1 Q6SZW1 1/20 0.34
SIRT2 Q8IXJ6 1/20 0.34
SIRT6 Q8N6T7 1/20 0.34
SIRT1 Q96EB6 1/20 0.34
SIRT3 Q9NTG7 1/20 0.34
SIRT5 Q9NXA8 1/20 0.34
SIRT4 Q9Y6E7 1/20 0.34
FYN P06241 1/20 0.34

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
SCHEMBL979253 0.80 MAPK9 (0.38) IKBKBMAP2
SCHEMBL18039131 0.71 HCRTR1 (0.44) CYP3A4IRAK4
SCHEMBL979886 0.71 COMT (0.35) IKBKBMKNK1MKNK2IRAK4
SCHEMBL6429867 0.71 MAPK9 (0.41) IKBKB
SCHEMBL4758723 0.68 HCRTR1 (0.36)
SCHEMBL979249 0.68 MAPK9 (0.38) IKBKBMKNK1CYP3A4IRAK4FYN
SCHEMBL7848026 0.66 HCRTR1 (0.48) MKNK1IRAK4F7F3SARM1
SCHEMBL3798467 0.66 HCRTR1 (0.36)
SCHEMBL302446 0.65 HCRTR1 (0.46) IRAK4
SCHEMBL252956 0.65 IKBKB (0.40) IKBKBIRAK4

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 169/4885MKNK1 90/4885MKNK2 94/4885
US-20170196844-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, CASP6 IKBKB 169/4885MKNK1 90/4885MKNK2 94/4885
US-20110009410-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, AIFM1 IKBKB 149/4885MKNK1 86/4885MKNK2 92/4885
US-20160130251-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, CASP6 IKBKB 169/4885MKNK1 90/4885MKNK2 94/4885
US-20130035339-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, MAP3K6 IKBKB 163/4885MKNK1 89/4885MKNK2 92/4885
US-20130012521-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, CASP6 IKBKB 169/4885MKNK1 90/4885MKNK2 94/4885

“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.