SCHEMBL5116053

SCHEMBL5116053

CN(C)CCOc1cc(N2CCC(N)CC2)cc2sc(C(N)=O)c(N)c12

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 15/20 0.44
CHUK O15111 2/20 0.44
EPHA3 P29320 2/20 0.44
CDK8 P49336 4/20 0.38
NTRK1 P04629 1/20 0.36
RIOK2 Q9BVS4 1/20 0.35
CDK19 Q9BWU1 1/20 0.35

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
SCHEMBL14277270 0.93 IKBKB (0.36) IKBKBCHUKEPHA3CDK8
SCHEMBL5106374 0.88 IKBKB (0.44) IKBKBCHUKEPHA3CDK8NTRK1
SCHEMBL5114616 0.87 IKBKB (0.49) IKBKBCHUKEPHA3CDK8NTRK1
SCHEMBL5106407 0.85 IKBKB (0.42) IKBKBCHUKEPHA3CDK8NTRK1
SCHEMBL5114160 0.83 CASP7 (0.42) IKBKBCHUKEPHA3
SCHEMBL5106391 0.83 IKBKB (0.43) IKBKBCHUKEPHA3CDK8NTRK1
SCHEMBL14277278 0.82 IKBKB (0.38) IKBKBCHUKEPHA3CDK8NTRK1
SCHEMBL5117786 0.81 CDK8 (0.42) IKBKBCHUKEPHA3CDK8CDK19
SCHEMBL5795344 0.81 IKBKB (0.36) IKBKBCHUKEPHA3CDK8
SCHEMBL5105377 0.80 IKBKB (0.38) IKBKBCHUKEPHA3CDK8CDK19

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 IKBKB 338/4885CHUK 100/4885EPHA3 4413/4885

“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.