SCHEMBL252954

SCHEMBL252954

NC(=O)c1nccc(-c2ccsc2)c1-n1ccnn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 3/20 0.39
TOP2A P11388 1/20 0.38
CHEK2 O96017 5/20 0.38
CHEK1 O14757 1/20 0.36
CCNE1 P24864 1/20 0.34
CDK2 P24941 1/20 0.34
CDC7 O00311 1/20 0.34
IRAK4 Q9NWZ3 1/20 0.34
IKBKE Q14164 2/20 0.33
TBK1 Q9UHD2 2/20 0.33
FYN P06241 1/20 0.33
HDAC6 Q9UBN7 2/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
MAPK9 P45984 1/20 0.32
MAPK10 P53779 1/20 0.32
KDM1A O60341 1/20 0.32
HDAC1 Q13547 1/20 0.32
LRRK2 Q5S007 1/20 0.32
GRIN2B Q13224 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
SCHEMBL979249 0.83 MAPK9 (0.38) IKBKBTOP2ACHEK2CHEK1CDK2
SCHEMBL252956 0.82 IKBKB (0.40) IKBKBTOP2ACHEK2CHEK1CDC7
SCHEMBL16826512 0.81 KDM4A (0.36) CHEK2MAPK9MAPK10
SCHEMBL251659 0.80 CHEK2 (0.36) CHEK2HDAC6MAPK9MAPK10HDAC1
SCHEMBL251579 0.67 CHEK2 (0.40) IKBKBTOP2ACHEK2CHEK1CCNE1
SCHEMBL16826514 0.67 KDM4A (0.36) CHEK2MAPK9MAPK10
SCHEMBL15153024 0.66 MAP3K5 (0.35) IKBKBTOP2ACHEK2CHEK1CDC7
SCHEMBL251581 0.66 IKBKB (0.40) IKBKBTOP2ACHEK2CHEK1CCNE1
SCHEMBL18039131 0.66 HCRTR1 (0.44) IRAK4ALDH1A1MAPTMAPK9MAPK10
SCHEMBL979253 0.65 MAPK9 (0.38) IKBKBMAPK9MAPK10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8440665-B2 Apoptosis signal-regulating kinase inhibitors GILEAD SCIENCES, INC. (US) 2013-05-14 US disclosed
US-20120004267-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS GILEAD SCIENCES, INC. (US) 2012-01-05 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 (1 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-20120004267-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS AIFM1, MAP3K1, RIPK3 IKBKB 193/4885TOP2A 4141/4885CHEK2 1021/4885

“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.