SCHEMBL938293

SCHEMBL938293

CC(O)c1ccc(Nc2nccc(-c3cc(C(=O)N4CCCC4)cs3)n2)cc1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 13/20 0.57
CHUK O15111 13/20 0.57
IKBKG Q9Y6K9 13/20 0.57
MEN1 O00255 1/20 0.49
RECQL P46063 1/20 0.49
BLM P54132 1/20 0.49
KMT2A Q03164 1/20 0.49
PRKCZ Q05513 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
MTOR P42345 1/20 0.49
SMG1 Q96Q15 1/20 0.49
CDK1 P06493 1/20 0.46
CDK2 P24941 1/20 0.46
SYK P43405 4/20 0.43
NEK3 P51956 1/20 0.42
LIMK1 P53667 1/20 0.42
NEK5 Q6P3R8 1/20 0.42
MYLK4 Q86YV6 1/20 0.42
STK17A Q9UEE5 1/20 0.42

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
SCHEMBL937376 0.99 IKBKB (0.56) IKBKBCHUKIKBKGMEN1RECQL
SCHEMBL938750 0.92 PLK4 (0.50) IKBKBCHUKIKBKGMEN1RECQL
SCHEMBL937691 0.90 DYRK2 (0.48) IKBKBCHUKIKBKGMEN1RECQL
SCHEMBL12423731 0.90 IKBKB (0.52) IKBKBCHUKIKBKGMEN1RECQL
SCHEMBL12423734 0.89 IKBKB (0.51) IKBKBCHUKIKBKGMEN1RECQL
SCHEMBL12423729 0.83 CDK1 (0.55) IKBKBCHUKIKBKGMTORSMG1
SCHEMBL12423736 0.81 SYK (0.48) IKBKBCHUKIKBKGMEN1RECQL
SCHEMBL12423716 0.75 STK17A (0.46) IKBKBPRKCZNEK3LIMK1NEK5
SCHEMBL12423714 0.74 CAMK2D (0.52) IKBKBPRKCZCDK1CDK2
SCHEMBL12423725 0.73 CAMK2D (0.44) IKBKBCDK2SYK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110015178-A1 Amido-Thiophene Compounds and Their Use THE UNIVERSITY OF EDINBURGH (GB) 2011-01-20 US claimed
US-8614209-B2 Amido-thiophene compounds and their use THE UNIVERSITY OF EDINBURGH (GB) 2013-12-24 US disclosed
US-20130012545-A1 Amido-Thiophene Compounds and Their Use THE UNIVERSITY OF EDINBURGH (GB) 2013-01-10 US disclosed
US-20130012545-A1 Amido-Thiophene Compounds and Their Use THE UNIVERSITY OF EDINBURGH (GB) 2013-01-10 US disclosed
US-8299063-B2 Amido-thiophene compounds and their use THE UNIVERSITY OF EDINBURGH (GB) 2012-10-30 US disclosed
US-8299063-B2 Amido-thiophene compounds and their use THE UNIVERSITY OF EDINBURGH (GB) 2012-10-30 US disclosed
US-20110015178-A1 Amido-Thiophene Compounds and Their Use THE UNIVERSITY OF EDINBURGH (GB) 2011-01-20 US disclosed
US-20110015178-A1 Amido-Thiophene Compounds and Their Use THE UNIVERSITY OF EDINBURGH (GB) 2011-01-20 US disclosed
WO-2009112845-A1 AMIDO-THIOPHENE COMPOUNDS AND THEIR USE THE UNIVERSITY OF EDINBURGH (GB) 2009-09-17 WO 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 (2 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-20110015178-A1 Amido-Thiophene Compounds and Their Use HSD11B1, HSD11B2, HSD17B1 IKBKB 1045/4885CHUK 1080/4885IKBKG 1567/4885
US-20130012545-A1 Amido-Thiophene Compounds and Their Use HSD11B1, HSD11B2, HSD17B1 IKBKB 1045/4885CHUK 1080/4885IKBKG 1567/4885

“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.