SCHEMBL4338637

SCHEMBL4338637

CCC(F)(F)c1cc(N2CCC(N)C(C)(C)C2)nc2sc(C(N)=O)c(N)c12

nearest known ligand 0.70

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 19/20 0.70
GAK O14976 1/20 0.70
ICAM1 P05362 1/20 0.70
DRD2 P14416 1/20 0.70
NFKBIA P25963 1/20 0.70
DRD3 P35462 1/20 0.70
ABAT P80404 1/20 0.70
AAK1 Q2M2I8 1/20 0.70
IRAK3 Q9Y616 1/20 0.70
CHUK O15111 3/20 0.53
EPHA3 P29320 2/20 0.53
NTRK1 P04629 1/20 0.51
SLC6A3 Q01959 1/20 0.49
TMEM97 Q5BJF2 1/20 0.49

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
SCHEMBL4338625 1.00 IKBKB (0.70) IKBKBGAKICAM1DRD2NFKBIA
SCHEMBL4347213 0.92 IKBKB (0.71) IKBKBGAKICAM1DRD2NFKBIA
SCHEMBL4471305 0.87 IKBKB (0.80) IKBKBGAKICAM1DRD2NFKBIA
SCHEMBL4190854 0.86 IKBKB (0.80) IKBKBGAKICAM1DRD2NFKBIA
SCHEMBL4657765 0.83 IKBKB (0.85) IKBKBCHUKEPHA3NTRK1
SCHEMBL4474557 0.83 IKBKB (0.70) IKBKBGAKICAM1DRD2NFKBIA
SCHEMBL4194829 0.83 IKBKB (0.70) IKBKBGAKICAM1DRD2NFKBIA
SCHEMBL13711918 0.82 IKBKB (0.75) IKBKBGAKICAM1DRD2NFKBIA
Bi-605906 SCHEMBL4470165 0.82 IKBKB (1.00) IKBKBGAKICAM1DRD2NFKBIA
SCHEMBL4196368 0.80 IKBKB (0.69) IKBKBGAKICAM1DRD2NFKBIA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7592353-B2 Substituted 3-amino-thieno[2,3-b]pyridine-2-carboxylic acid amide compounds and processes for preparing and their uses BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-09-22 US claimed
EP-2029608-A1 SUBSTITUTED 3-AMINO-THIENO[2,3-B] PYRIDINE-2-CARBOXAMIDE COMPOUNDS, THEIR PREPARATION AND USE Boehringer Ingelheim International GmbH (DE) 2009-03-04 EP claimed
WO-2007146602-A1 SUBSTITUTED 3-AMINO-THIENO[2,3-B] PYRIDINE-2-CARBOXAMIDE COMPOUNDS, THEIR PREPARATION AND USE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-12-21 WO claimed
US-20070293533-A1 SUBSTITUTED 3-AMINO-THIENO[2,3-b]PYRIDINE-2-CARBOXYLIC ACID AMIDE COMPOUNDS AND PROCESSES FOR PREPARING AND THEIR USES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-12-20 US claimed
US-7592353-B2 Substituted 3-amino-thieno[2,3-b]pyridine-2-carboxylic acid amide compounds and processes for preparing and their uses BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-09-22 US disclosed
US-20070293533-A1 SUBSTITUTED 3-AMINO-THIENO[2,3-b]PYRIDINE-2-CARBOXYLIC ACID AMIDE COMPOUNDS AND PROCESSES FOR PREPARING AND THEIR USES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-12-20 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-20070293533-A1 SUBSTITUTED 3-AMINO-THIENO[2,3-b]PYRIDINE-2-CARBOXYLIC ACID AMIDE COMPOUNDS AND PROCESSES FOR PREPARING AND THEIR USES NFKBIA, CHUK, IKBKB IKBKB 3/4885GAK 78/4885ICAM1 909/4885

“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.