SCHEMBL251579

SCHEMBL251579

NC(=O)c1nccc(-c2ccsc2)c1-c1nc[nH]n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 5/20 0.40
IKBKB O14920 2/20 0.39
CHEK1 O14757 1/20 0.38
FYN P06241 3/20 0.37
CDC7 O00311 1/20 0.36
TOP2A P11388 1/20 0.36
HDAC6 Q9UBN7 2/20 0.34
LRRK2 Q5S007 1/20 0.34
KDM1A O60341 1/20 0.34
HDAC1 Q13547 1/20 0.34
ALDH1A1 P00352 2/20 0.33
KDR P35968 1/20 0.33
IKBKE Q14164 1/20 0.33
TBK1 Q9UHD2 1/20 0.33
USP2 O75604 1/20 0.33
PKM P14618 1/20 0.33
CCNE2 O96020 1/20 0.33
CDK4 P11802 1/20 0.33
CCND1 P24385 1/20 0.33
CCNE1 P24864 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
SCHEMBL251581 0.93 IKBKB (0.40) CHEK2IKBKBCHEK1FYNCDC7
SCHEMBL980970 0.83 FYN (0.40) CHEK2IKBKBCHEK1FYNCDC7
SCHEMBL251138 0.81 KDM4A (0.39) CHEK2ALDH1A1MAPT
SCHEMBL251430 0.80 CHEK2 (0.38) CHEK2IKBKBCHEK1CDC7HDAC6
SCHEMBL251432 0.80 CHEK2 (0.38) CHEK2IKBKBCHEK1CDC7HDAC6
SCHEMBL980973 0.78 FYN (0.40) CHEK2IKBKBFYNCDC7
SCHEMBL251140 0.77 KDM4B (0.39) CHEK2ALDH1A1MAPT
SCHEMBL14931505 0.74 BTK (0.39) CHEK2IKBKBCHEK1CDC7HDAC6
SCHEMBL251566 0.72 BTK (0.40) CHEK2IKBKBCHEK1CDC7BTK
SCHEMBL15153024 0.68 MAP3K5 (0.35) CHEK2IKBKBCHEK1CDC7TOP2A

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 CHEK2 1021/4885IKBKB 193/4885CHEK1 850/4885

“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.