SCHEMBL6281172

SCHEMBL6281172

CCCc1cc(N2CCC(NCC(O)c3ccc(-c4cnccn4)cc3)CC2)nc2sc(C(N)=O)c(N)c12

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 20/20 0.61
CHUK O15111 4/20 0.57
EPHA3 P29320 3/20 0.57
NTRK1 P04629 1/20 0.57
PDGFRA P16234 1/20 0.52

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
SCHEMBL6281204 0.91 IKBKB (0.62) IKBKBCHUKEPHA3NTRK1PDGFRA
SCHEMBL6279022 0.90 IKBKB (0.67) IKBKBCHUKEPHA3NTRK1PDGFRA
SCHEMBL6281267 0.90 IKBKB (0.62) IKBKBCHUKEPHA3NTRK1PDGFRA
SCHEMBL6281155 0.89 IKBKB (0.65) IKBKBCHUKEPHA3NTRK1PDGFRA
SCHEMBL4911135 0.89 IKBKB (0.71) IKBKBCHUKEPHA3NTRK1PDGFRA
SCHEMBL4657882 0.89 IKBKB (0.73) IKBKBCHUKEPHA3NTRK1PDGFRA
SCHEMBL6282330 0.88 IKBKB (0.68) IKBKBCHUKEPHA3NTRK1PDGFRA
SCHEMBL4921092 0.88 IKBKB (0.68) IKBKBCHUKEPHA3NTRK1PDGFRA
SCHEMBL4918219 0.88 IKBKB (0.67) IKBKBCHUKEPHA3NTRK1PDGFRA
SCHEMBL4657702 0.87 IKBKB (0.71) IKBKBCHUKEPHA3NTRK1PDGFRA

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.