SCHEMBL6276397

SCHEMBL6276397

NC(=O)c1sc2nc(N3CCC(N)CC3)cc(C3CC3)c2c1N

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 20/20 0.68
CHUK O15111 2/20 0.68
EPHA3 P29320 2/20 0.68
NTRK1 P04629 1/20 0.57
GAK O14976 1/20 0.51
ICAM1 P05362 1/20 0.51
DRD2 P14416 1/20 0.51
NFKBIA P25963 1/20 0.51
DRD3 P35462 1/20 0.51
ABAT P80404 1/20 0.51
AAK1 Q2M2I8 1/20 0.51
IRAK3 Q9Y616 1/20 0.51

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
SCHEMBL6282321 0.86 IKBKB (0.70) IKBKBCHUKEPHA3NTRK1GAK
SCHEMBL6283423 0.85 IKBKB (0.83) IKBKBCHUKEPHA3NTRK1
SCHEMBL6282456 0.83 IKBKB (0.86) IKBKBCHUKEPHA3NTRK1
SCHEMBL6278570 0.83 IKBKB (0.68) IKBKBCHUKEPHA3NTRK1GAK
SCHEMBL4657084 0.83 IKBKB (0.66) IKBKBCHUKEPHA3NTRK1GAK
SCHEMBL4659222 0.83 IKBKB (0.68) IKBKBCHUKEPHA3NTRK1GAK
SCHEMBL6276911 0.83 IKBKB (0.68) IKBKBCHUKEPHA3NTRK1GAK
SCHEMBL4191528 0.83 IKBKB (0.66) IKBKBCHUKEPHA3NTRK1GAK
SCHEMBL4657117 0.81 IKBKB (1.00) IKBKBCHUKEPHA3NTRK1
SCHEMBL4657687 0.81 IKBKB (0.63) IKBKBCHUKEPHA3NTRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040180922-A1 Substituted 3-amino-thieno [2,3-b]pyridine-2-carboxylic acid amide compounds and processes for preparing and their uses BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2004-09-16 US claimed
US-6974870-B2 Substituted 3-amino-thieno [2,3-b]pyridine-2-carboxylic acid amide compounds and processes for preparing and their uses BOEHRINGER INGELHEIM PHAMACEUTICALS, INC. (US) 2005-12-13 US disclosed
US-20040180922-A1 Substituted 3-amino-thieno [2,3-b]pyridine-2-carboxylic acid amide compounds and processes for preparing and their uses BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2004-09-16 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-20040180922-A1 Substituted 3-amino-thieno [2,3-b]pyridine-2-carboxylic acid amide compounds and processes for preparing and their uses NFKBIA, IKBKB, CHUK IKBKB 2/4885CHUK 3/4885EPHA3 4274/4885

“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.