SCHEMBL5117786

SCHEMBL5117786

NC(=O)c1sc2cc(N3CCC(N)CC3)cc(OCc3ccccc3)c2c1N

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CDK8 P49336 7/20 0.42
CDK19 Q9BWU1 2/20 0.42
IKBKB O14920 4/20 0.42
CHUK O15111 1/20 0.42
EPHA3 P29320 1/20 0.42
PLK1 P53350 3/20 0.40
NEK2 P51955 1/20 0.40
LRRK2 Q5S007 2/20 0.38
MCHR1 Q99705 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL14277275 0.93 LRRK2 (0.38) IKBKBCHUKEPHA3PLK1NEK2
SCHEMBL5115752 0.91 CDK8 (0.43) CDK8CDK19IKBKBCHUKEPHA3
SCHEMBL5115059 0.89 IKBKB (0.40) CDK8CDK19IKBKBCHUKEPHA3
SCHEMBL5106148 0.87 IKBKB (0.41) CDK8CDK19IKBKBCHUKEPHA3
SCHEMBL5105377 0.87 IKBKB (0.38) CDK8CDK19IKBKBCHUKEPHA3
SCHEMBL5114616 0.85 IKBKB (0.49) CDK8IKBKBCHUKEPHA3
SCHEMBL5106374 0.84 IKBKB (0.44) CDK8IKBKBCHUKEPHA3
SCHEMBL14277277 0.83 F10 (0.38) CDK8IKBKBCHUKEPHA3PLK1
SCHEMBL5106391 0.83 IKBKB (0.43) CDK8CDK19IKBKBCHUKEPHA3
SCHEMBL14277276 0.82 KDM1A (0.40) IKBKBCHUKEPHA3LRRK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7329764-B2 Substitute benzothiophene compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2008-02-12 US claimed
EP-1651629-A1 SUBSTITUTED BENZOTHIOPHENE COMPOUNDS AND USES THEREOF BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2006-05-03 EP claimed
US-20050038104-A1 Substitute benzothiophene compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-02-17 US claimed
WO-2005012283-A1 SUBSTITUTED BENZOTHIOPHENE COMPOUNDS AND USES THEREOF BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-02-10 WO claimed
US-7329764-B2 Substitute benzothiophene compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2008-02-12 US disclosed
US-7329764-B2 Substitute benzothiophene compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2008-02-12 US disclosed
US-7329764-B2 Substitute benzothiophene compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2008-02-12 US disclosed
EP-1651629-A1 SUBSTITUTED BENZOTHIOPHENE COMPOUNDS AND USES THEREOF BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2006-05-03 EP disclosed
US-20050038104-A1 Substitute benzothiophene compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-02-17 US disclosed
WO-2005012283-A1 SUBSTITUTED BENZOTHIOPHENE COMPOUNDS AND USES THEREOF BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-02-10 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 (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-20050038104-A1 Substitute benzothiophene compounds TST, SULT1E1, LTC4S CDK8 1823/4885CDK19 1918/4885IKBKB 338/4885

“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.