SCHEMBL218434

SCHEMBL218434

OCc1ccc(-c2ccc3nc(-c4cccc5cnccc45)cn3c2)o1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.44
NR4A2 P43354 3/20 0.39
ADORA2A P29274 1/20 0.37
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 2/20 0.37
MAPT P10636 1/20 0.37
CYP2C9 P11712 2/20 0.36
KCNH2 Q12809 1/20 0.36
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
HTR2C P28335 1/20 0.34
HIF1A Q16665 1/20 0.33
EPAS1 Q99814 1/20 0.33
ALDH1A2 O94788 1/20 0.33
ALDH1A3 P47895 1/20 0.33
PDCD1 Q15116 1/20 0.33
CD274 Q9NZQ7 1/20 0.33
PRKDC P78527 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
SCHEMBL220438 0.82 NR4A2 (0.41) CYP2A6NR4A2ADORA2AALDH1A1KDM4E
SCHEMBL216653 0.79 NR4A2 (0.40) NR4A2ALDH1A1CYP2C9KCNH2CYP11B1
SCHEMBL217834 0.79 NR4A2 (0.45) CYP2A6NR4A2ADORA2AALDH1A1KDM4E
SCHEMBL3433476 0.79 HIF1A (0.43) CYP2A6NR4A2ADORA2AALDH1A1KDM4E
SCHEMBL3429968 0.79 NR4A2 (0.49) NR4A2ALDH1A1KDM4EMAPTCYP2C9
SCHEMBL217732 0.78 NR4A2 (0.39) NR4A2ALDH1A1KDM4EMAPTCYP2C9
SCHEMBL217845 0.77 ALDH1A3 (0.58) CYP2A6NR4A2ADORA2AALDH1A1KDM4E
SCHEMBL3431887 0.77 NR4A2 (0.62) NR4A2CYP2C9KCNH2CYP11B1CYP11B2
SCHEMBL216917 0.76 ADORA2A (0.39) CYP2A6NR4A2ADORA2AALDH1A1MAPT
SCHEMBL217541 0.76 ADORA2A (0.41) CYP2A6NR4A2ADORA2AALDH1A1KDM4E

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 11 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-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 CYP2A6 60/4885NR4A2 829/4885ADORA2A 279/4885
US-20120053202-A1 POLYSUBSTITUTED DERIVATIVES OF 6-HETEROARYLIMIDAZO[1,2-a]PYRIDINES, AND PREPARATION AND THERAPEUTIC USE THEREOF CYP4X1, HAX1, JAK2 CYP2A6 60/4885NR4A2 829/4885ADORA2A 279/4885

“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.