SCHEMBL6283423

SCHEMBL6283423

Cc1cc(N2CCC(N)CC2)nc2sc(C(N)=O)c(N)c12

nearest known ligand 0.83

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 20/20 0.83
CHUK O15111 3/20 0.76
EPHA3 P29320 2/20 0.76
NTRK1 P04629 1/20 0.63
PRKACA P17612 1/20 0.58
PRKACG P22612 1/20 0.58
PRKACB P22694 1/20 0.58
LIMK1 P53667 1/20 0.58
BTK Q06187 1/20 0.58

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
SCHEMBL4657731 0.91 IKBKB (1.00) IKBKBCHUKEPHA3NTRK1PRKACA
SCHEMBL6282456 0.89 IKBKB (0.86) IKBKBCHUKEPHA3NTRK1
SCHEMBL6282321 0.87 IKBKB (0.70) IKBKBCHUKEPHA3NTRK1
SCHEMBL4656802 0.87 IKBKB (1.00) IKBKBCHUKEPHA3NTRK1PRKACA
SCHEMBL4657117 0.86 IKBKB (1.00) IKBKBCHUKEPHA3NTRK1
SCHEMBL6278570 0.86 IKBKB (0.68) IKBKBCHUKEPHA3NTRK1
SCHEMBL6276911 0.86 IKBKB (0.68) IKBKBCHUKEPHA3NTRK1
SCHEMBL4659222 0.86 IKBKB (0.68) IKBKBCHUKEPHA3NTRK1
SCHEMBL6276397 0.85 IKBKB (0.68) IKBKBCHUKEPHA3NTRK1
SCHEMBL4658222 0.85 IKBKB (1.00) IKBKBCHUKEPHA3NTRK1PRKACA

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.