SCHEMBL217646

SCHEMBL217646

N#Cc1cccc(-c2cn3cc(-c4csc(CO)c4)ccc3n2)c1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A3 P47895 10/20 0.64
NR4A2 P43354 7/20 0.47
KCNH2 Q12809 2/20 0.47
CYP2C9 P11712 2/20 0.47
ALDH1A1 P00352 3/20 0.42
ALDH1A2 O94788 1/20 0.42
APP P05067 1/20 0.40
SLC2A1 P11166 2/20 0.39
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL219585 0.84 ALDH1A3 (0.61) ALDH1A3NR4A2KCNH2CYP2C9ALDH1A1
SCHEMBL217061 0.84 NPC1 (0.50) ALDH1A3NR4A2KCNH2CYP2C9ALDH1A1
SCHEMBL219029 0.84 NR4A2 (0.49) ALDH1A3NR4A2KCNH2CYP2C9ALDH1A1
SCHEMBL1472161 0.84 ALDH1A3 (0.70) ALDH1A3NR4A2KCNH2CYP2C9ALDH1A1
SCHEMBL1475024 0.83 ALDH1A3 (0.72) ALDH1A3NR4A2KCNH2CYP2C9ALDH1A1
SCHEMBL219877 0.81 ALDH1A3 (0.63) ALDH1A3NR4A2KCNH2CYP2C9ALDH1A1
SCHEMBL218890 0.80 ALDH1A3 (0.56) ALDH1A3NR4A2KCNH2CYP2C9ALDH1A1
SCHEMBL220168 0.79 NR4A2 (0.47) ALDH1A3NR4A2KCNH2CYP2C9ALDH1A1
SCHEMBL218678 0.79 ALDH1A3 (0.60) ALDH1A3NR4A2KCNH2CYP2C9ALDH1A1
SCHEMBL216921 0.79 ALDH1A3 (0.56) ALDH1A3NR4A2KCNH2CYP2C9ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2262804-B1 POLYSUBSTITUTED DERIVATIVES OF 6-HETEROARYL-IMIDAZO[L,2- A] PYRIDINES, AND PREPARATION AND THERAPEUTIC USE THEREOF SANOFI SA (FR) 2014-12-03 EP claimed
US-8598166-B2 Polysubstituted derivatives of 6-heteroarylimidazo[1,2-a]pyridines, and preparation and therapeutic use thereof SANOFI (FR) 2013-12-03 US claimed
US-8088765-B2 Polysubstituted derivatives of 6-heteroarylimidazo[1,2-a]pyridines, and preparation and therapeutic use thereof SANOFI-AVENTIS (FR) 2012-01-03 US claimed
US-20110065700-A1 POLYSUBSTITUTED DERIVATIVES OF 6-HETEROARYLIMIDAZO[1,2-a]PYRIDINES, AND PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2011-03-17 US claimed
EP-2262804-A1 POLYSUBSTITUTED DERIVATIVES OF 6-HETEROARYL-IMIDAZO[L,2- A] PYRIDINES, AND PREPARATION AND THERAPEUTIC USE THEREOF Sanofi-aventis (FR) 2010-12-22 EP claimed
WO-2009144392-A1 POLYSUBSTITUTED DERIVATIVES OF 6-HETEROARYL-IMIDAZO[L,2- Α] PYRIDINES, AND PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2009-12-03 WO claimed
EP-2262804-B1 POLYSUBSTITUTED DERIVATIVES OF 6-HETEROARYL-IMIDAZO[L,2- A] PYRIDINES, AND PREPARATION AND THERAPEUTIC USE THEREOF SANOFI SA (FR) 2014-12-03 EP disclosed
US-8598166-B2 Polysubstituted derivatives of 6-heteroarylimidazo[1,2-a]pyridines, and preparation and therapeutic use thereof SANOFI (FR) 2013-12-03 US disclosed
US-20120053202-A1 POLYSUBSTITUTED DERIVATIVES OF 6-HETEROARYLIMIDAZO[1,2-a]PYRIDINES, AND PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2012-03-01 US disclosed
US-8088765-B2 Polysubstituted derivatives of 6-heteroarylimidazo[1,2-a]pyridines, and preparation and therapeutic use thereof SANOFI-AVENTIS (FR) 2012-01-03 US disclosed
US-20110065700-A1 POLYSUBSTITUTED DERIVATIVES OF 6-HETEROARYLIMIDAZO[1,2-a]PYRIDINES, AND PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2011-03-17 US disclosed
EP-2262804-A1 POLYSUBSTITUTED DERIVATIVES OF 6-HETEROARYL-IMIDAZO[L,2- A] PYRIDINES, AND PREPARATION AND THERAPEUTIC USE THEREOF Sanofi-aventis (FR) 2010-12-22 EP disclosed
WO-2009144392-A1 POLYSUBSTITUTED DERIVATIVES OF 6-HETEROARYL-IMIDAZO[L,2- Α] PYRIDINES, AND PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2009-12-03 WO 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 (2 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-20110065700-A1 POLYSUBSTITUTED DERIVATIVES OF 6-HETEROARYLIMIDAZO[1,2-a]PYRIDINES, AND PREPARATION AND THERAPEUTIC USE THEREOF CYP4X1, HAX1, JAK2 ALDH1A3 2936/4885NR4A2 829/4885KCNH2 2469/4885
US-20120053202-A1 POLYSUBSTITUTED DERIVATIVES OF 6-HETEROARYLIMIDAZO[1,2-a]PYRIDINES, AND PREPARATION AND THERAPEUTIC USE THEREOF CYP4X1, HAX1, JAK2 ALDH1A3 2936/4885NR4A2 829/4885KCNH2 2469/4885

“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.