SCHEMBL251659

SCHEMBL251659

NC(=O)c1nccc(-c2nccs2)c1-n1ccnn1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 1/20 0.36
HSP90AA1 P07900 1/20 0.34
LRRK2 Q5S007 1/20 0.33
MAPK9 P45984 1/20 0.32
MAPK10 P53779 1/20 0.32
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
PKMYT1 Q99640 1/20 0.31
HDAC2 Q92769 2/20 0.31
HDAC3 O15379 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC7 Q8WUI4 1/20 0.31
HDAC10 Q969S8 1/20 0.31
HDAC11 Q96DB2 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
HDAC9 Q9UKV0 1/20 0.31
HDAC5 Q9UQL6 1/20 0.31
MYC P01106 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
SCHEMBL251661 0.81 CHEK2 (0.33) CHEK2HSP90AA1LRRK2MAPK9MAPK10
SCHEMBL252954 0.80 IKBKB (0.39) CHEK2LRRK2MAPK9MAPK10HDAC1
SCHEMBL979249 0.79 MAPK9 (0.38) CHEK2MAPK9MAPK10CYP3A4PKMYT1
SCHEMBL16826512 0.77 KDM4A (0.36) CHEK2MAPK9MAPK10
SCHEMBL15153060 0.71 CHEK2 (0.36) CHEK2HSP90AA1LRRK2MYCBRAF
SCHEMBL2887102 0.70 CHEK2 (0.43) CHEK2LRRK2
SCHEMBL15153064 0.68 CHEK2 (0.36) CHEK2HSP90AA1LRRK2MYCBRAF
SCHEMBL29415057 0.66 NOTUM (0.38) MAPK9MAPK10CYP2C9
SCHEMBL18039131 0.66 HCRTR1 (0.44) MAPK9MAPK10CYP3A4MYC
SCHEMBL252956 0.66 IKBKB (0.40) CHEK2MAPK9MAPK10HDAC1HDAC6

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 1021/4885HSP90AA1 2906/4885LRRK2 133/4885

“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.