SCHEMBL2652445

SCHEMBL2652445

N#Cc1cc(F)ccc1-c1ncccc1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 1/20 0.40
SQOR Q9Y6N5 1/20 0.38
GABRG2 P18507 7/20 0.38
GABRB3 P28472 7/20 0.38
GABRA5 P31644 6/20 0.38
GABRA3 P34903 6/20 0.38
GABRA1 P14867 6/20 0.38
HCRTR1 O43613 1/20 0.38
HCRTR2 O43614 1/20 0.38
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37
CNR2 P34972 1/20 0.37
SCN9A Q15858 1/20 0.37
USP8 P40818 1/20 0.37
USP7 Q93009 1/20 0.37
USP47 Q96K76 1/20 0.37
TGFBR1 P36897 2/20 0.37
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
KCNH2 Q12809 1/20 0.36

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
SCHEMBL2652165 0.84 SQOR (0.39) CYP11B2SQORCNR2SCN9AUSP8
SCHEMBL3291131 0.81 ADORA1 (0.46) CYP11B2SQORGABRG2GABRB3GABRA5
SCHEMBL19072688 0.80 MAPK14 (0.48) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL3288797 0.78 GABRG2 (0.47) CYP11B2SQORGABRG2GABRB3GABRA5
SCHEMBL26185770 0.76 ADORA2A (0.46) CYP11B2GABRG2GABRB3GABRA5GABRA3
SCHEMBL30709648 0.76 ADORA2A (0.46) CYP11B2GABRG2GABRB3GABRA5GABRA3
SCHEMBL2654322 0.76 CYP11B2 (0.39) CYP11B2GABRG2GABRB3GABRA5GABRA3
SCHEMBL21116203 0.75 USP8 (0.42) CYP11B2GABRG2GABRB3GABRA5GABRA3
SCHEMBL2651557 0.75 BCAT1 (0.37) CYP11B2GABRG2GABRB3GABRA5GABRA3
SCHEMBL3863531 0.75 CYP11B1 (0.44) CYP11B2GABRG2GABRB3GABRA5GABRA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7226926-B2 8-fluoroimidazo 1,2-a pyridine derivatives as ligands for GABA receptors MERCK SHARP & DOHME LTD. (GB) 2007-06-05 US disclosed
EP-1511748-B1 8-FLUORIMIDAZO(1,2-A)PYRIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME (GB) 2006-08-09 EP disclosed
US-20060052385-A1 8-Fluoroimidazo 1,2-a pyridine derivatives as ligands for gaba receptors MERCK SHARP & DOHME LTD. (GB) 2006-03-09 US disclosed
EP-1511748-A1 8-FLUORIMIDAZO(1,2-A)PYRIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LTD. (GB) 2005-03-09 EP disclosed
WO-2003099817-A1 8-FLUORIMIDAZO`1,2-A!PYRIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LIMITED (GB) 2003-12-04 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 (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-20060052385-A1 8-Fluoroimidazo 1,2-a pyridine derivatives as ligands for gaba receptors GABRA3, GABRA2, GABRA5 CYP11B2 567/4885SQOR 3158/4885GABRG2 16/4885

“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.