SCHEMBL2649558

SCHEMBL2649558

Fc1n[c]nc(-c2ccccc2)c1F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.37
XDH P47989 1/20 0.36
ALDH1A1 P00352 4/20 0.33
MAPT P10636 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
MAP2K4 P45985 1/20 0.33
GRM5 P41594 1/20 0.33
KDM4E B2RXH2 5/20 0.32
LMNA P02545 4/20 0.32
HPGD P15428 2/20 0.32
MAPK1 P28482 2/20 0.32
HTT P42858 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
GLA P06280 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MEN1 O00255 1/20 0.32
TP53 P04637 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL5376098 0.80 KDM4E (0.41) ALOX15XDHALDH1A1MAPTCYP1A2
SCHEMBL5392024 0.73 ADORA2A (0.41) XDHALDH1A1MAPTCYP2C19KDM4E
SCHEMBL2650878 0.69 ALOX15 (0.35) ALOX15XDHALDH1A1MAPTMAP2K4
SCHEMBL21693803 0.68 XDH (0.44) ALOX15XDHALDH1A1MAPTCYP1A2
SCHEMBL9811321 0.68
SCHEMBL14280960 0.67 DHFR (0.46) ALOX15ALDH1A1MAPTCYP1A2CYP2D6
SCHEMBL2653719 0.67 KDM4E (0.44) ALOX15XDHALDH1A1MAPTCYP1A2
SCHEMBL637697 0.67 ADORA2A (0.52) ALDH1A1MAPTKDM4ELMNAHPGD
SCHEMBL7471487 0.65 XDH (0.42) ALOX15XDHALDH1A1MAPTGRM5
SCHEMBL7465542 0.65 XDH (0.42) ALOX15XDHALDH1A1GRM5KDM4E

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
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 claimed
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-1383768-B1 IMIDAZO-PYRIMIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME (GB) 2006-09-06 EP 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-7030128-B2 Central nervous system disorders; anxiolytic agents; anticonvulsants; cognition activators; side effect reduction MERCK SHARP & DOHME LTD. (GB) 2006-04-18 US 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
US-20040092533-A1 Imidazo-pyrimidine derivatives as ligands for gaba receptors MERCK SHARP & DOHME LTD. (GB) 2004-05-13 US disclosed
EP-1383768-A1 IMIDAZO-PYRIMIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LTD. (GB) 2004-01-28 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
WO-2003086406-A1 IMIDAZO-PYRIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LIMITED (GB) 2003-10-23 WO disclosed
WO-2002076983-A1 IMIDAZO-PYRIMIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LIMITED (GB) 2002-10-03 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-20040092533-A1 Imidazo-pyrimidine derivatives as ligands for gaba receptors GABRA3, GABRA1, GABRA4 ALOX15 4372/4885XDH 473/4885ALDH1A1 495/4885
US-20060052385-A1 8-Fluoroimidazo 1,2-a pyridine derivatives as ligands for gaba receptors GABRA3, GABRA2, GABRA5 ALOX15 4574/4885XDH 1028/4885ALDH1A1 676/4885

“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.