SCHEMBL2653585

SCHEMBL2653585

N#Cc1cc(F)ccc1-c1cc(Cl)ccn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 4/20 0.47
GABRG2 P18507 4/20 0.47
GABRB3 P28472 4/20 0.47
GABRA3 P34903 3/20 0.47
CNR1 P21554 5/20 0.39
CNR2 P34972 3/20 0.39
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
PDK2 Q15119 1/20 0.39
CYP11B2 P19099 2/20 0.38
MAPT P10636 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
LRRK2 Q5S007 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 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
SCHEMBL2650163 0.81 GABRG2 (0.43) GABRA1GABRG2GABRB3GABRA3KDM4E
SCHEMBL3446121 0.80 KMO (0.49) GABRG2GABRB3GABRA3MEN1KMT2A
SCHEMBL23813289 0.80 GABRA1 (0.47) GABRA1GABRG2GABRB3GABRA3KDM4E
SCHEMBL2654322 0.76 CYP11B2 (0.39) GABRA1GABRG2GABRB3GABRA3CNR1
SCHEMBL21116203 0.75 USP8 (0.42) GABRA1GABRG2GABRB3GABRA3CYP11B2
SCHEMBL2370859 0.74 KCNH2 (0.53)
SCHEMBL2653145 0.71 CNR1 (0.41) GABRA1GABRG2GABRB3GABRA3CNR1
SCHEMBL320090 0.71 TGFBR1 (0.49) CYP1A2CYP3A4
SCHEMBL15578128 0.71 MAPT (0.47) KDM4EALDH1A1HPGDMAPTMEN1
SCHEMBL29387099 0.71 MAPT (0.47) KDM4EALDH1A1HPGDMAPTMEN1

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-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-2004076452-A1 5,8-DIFLUOROIMIDAZO[1,2-a]PYRIDINES AS GABA-A α2/α3 LIGANDS FOR TREATING ANXIETY AND/OR DEPRESSION MERCK SHARP & DOHME LIMITED (GB) 2004-09-10 WO 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 GABRA1 5/4885GABRG2 16/4885GABRB3 6/4885

“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.