SCHEMBL4196229

SCHEMBL4196229

N#Cc1c(C(F)F)cc(O)[nH]c1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 11/20 0.38
ALDH1A1 P00352 9/20 0.38
GAA P10253 9/20 0.38
GLA P06280 8/20 0.38
HPGD P15428 8/20 0.38
TP53 P04637 1/20 0.38
HSD17B10 Q99714 2/20 0.38
POLB P06746 1/20 0.38
UPP1 Q16831 3/20 0.38
PIM1 P11309 4/20 0.35
BIRC5 O15392 2/20 0.35
KDM5A P29375 1/20 0.35
KDM5C P41229 1/20 0.35
KDM5B Q9UGL1 1/20 0.35
ATM Q13315 3/20 0.34
HTT P42858 2/20 0.33
KMT2A Q03164 2/20 0.33
MAPT P10636 1/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL11634389 0.74 KDM4E (0.43) KDM4EALDH1A1GAAGLAHPGD
SCHEMBL4196230 0.73 KDM4E (0.55) KDM4EALDH1A1GAAGLAHPGD
SCHEMBL10261572 0.73 UPP1 (0.41) KDM4EALDH1A1GAAGLAHPGD
SCHEMBL2958315 0.73 UPP1 (0.58) KDM4EALDH1A1GAAGLAHPGD
SCHEMBL11306205 0.71 UPP1 (0.56) KDM4EALDH1A1GAAGLAHPGD
SCHEMBL16561953 0.70 KDM4E (0.49) KDM4EALDH1A1GAAGLAHPGD
SCHEMBL20339837 0.69 KDM4E (0.57) KDM4EALDH1A1GAAGLAHPGD
SCHEMBL4190414 0.67 KDM4E (0.51) KDM4EALDH1A1GAAGLAHPGD
SCHEMBL23860992 0.67 ALDH1A1 (0.54) KDM4EALDH1A1GAAGLAHPGD
SCHEMBL11709501 0.67 ATM (0.69) KDM4EALDH1A1GAAGLAHPGD

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 disclosed
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
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 disclosed
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 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
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 KDM4E 694/4885ALDH1A1 2547/4885GAA 3758/4885

“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.