SCHEMBL481304

SCHEMBL481304

Nc1nccc(-c2cccc(Br)c2)n1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKACA P17612 5/20 0.62
HSP90AA1 P07900 2/20 0.62
AURKA O14965 2/20 0.62
ADORA2A P29274 1/20 0.62
HSP90AB1 P08238 1/20 0.56
PTK2 Q05397 1/20 0.56
RAB9A P51151 2/20 0.54
ALDH1A1 P00352 2/20 0.54
MAPT P10636 1/20 0.54
HPGD P15428 1/20 0.54
HK1 P19367 1/20 0.54
HKDC1 Q2TB90 1/20 0.54
KMO O15229 1/20 0.54
CDK5 Q00535 6/20 0.51
CDK5R1 Q15078 6/20 0.51
GSK3B P49841 5/20 0.51
CLK1 P49759 4/20 0.51
CCNB2 O95067 4/20 0.51
CDK1 P06493 4/20 0.51
CCNB1 P14635 4/20 0.51

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
SCHEMBL4780028 0.84 PRKACA (0.58) PRKACAHSP90AA1AURKAADORA2AHSP90AB1
SCHEMBL480966 0.83 ALDH1A1 (0.46) PRKACAHSP90AA1AURKAADORA2ARAB9A
SCHEMBL4708076 0.82 HSP90AA1 (0.67) PRKACAHSP90AA1AURKAADORA2AHSP90AB1
SCHEMBL4024518 0.81 PIM1 (0.68) PRKACAHSP90AA1AURKAADORA2AHSP90AB1
SCHEMBL4202167 0.81 HSP90AA1 (0.76) PRKACAHSP90AA1AURKAADORA2AHSP90AB1
SCHEMBL5229810 0.79 HSP90AA1 (0.62) PRKACAHSP90AA1AURKAADORA2AHSP90AB1
SCHEMBL28135370 0.79 KMT2A (0.54) PRKACAHSP90AA1AURKAADORA2ARAB9A
SCHEMBL6764764 0.79 HSP90AA1 (0.62) PRKACAHSP90AA1AURKAADORA2AHSP90AB1
SCHEMBL3754295 0.79 ALDH1A1 (0.46) RAB9AALDH1A1MAPTHPGDHK1
SCHEMBL474287 0.78 HSP90AA1 (0.66) PRKACAHSP90AA1AURKAADORA2AHSP90AB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2441762-A1 Potentiators of Glutamate Receptors Eli Lilly and Company (US) 2012-04-18 EP disclosed
EP-1817301-B1 POTENTIATORS OF GLUTAMATE RECEPTORS LILLY CO ELI (US) 2012-02-01 EP disclosed
US-7858646-B2 Potentiators of glutamate receptors ELI LILLY AND COMPANY (US) 2010-12-28 US disclosed
US-7816523-B2 Potentiators of glutamate receptors ELI LILLY AND COMPANY (US) 2010-10-19 US disclosed
US-7803938-B2 Potentiators of glutamate receptors ELI LILLY AND COMPANY (US) 2010-09-28 US disclosed
US-20090318481-A1 Potentiators Of Glutamate Receptors AICHER THOMAS DANIEL 2009-12-24 US disclosed
US-20090318483-A1 Potentiators Of Glutamate Receptors AICHER THOMAS DANIEL 2009-12-24 US disclosed
US-7598423-B2 Potentiators of glutamate receptors ELI LILLY AND COMPANY (US) 2009-10-06 US disclosed
US-20080139505-A1 Potentiators Of Glutamate Receptors ARRAY BIOPHARMA, INC. 2008-06-12 US disclosed
US-20080096930-A1 1-(2-hydroxy-3-methyl-4-{4-[4-(1H-tetrazol-5-yl)-pyridin-2-yloxy]-benzyloxy}-phenyl)-ethanone; 6-(3-((4-acetyl-3-hydroxy-2-propylphenoxy)methyl)phenylthio)isonicotinic acid; 1-(2-hydroxy-4-{3-[4-(2H-tetrazol-5-yl)-pyridin-2-yloxy]-benzyloxy}-3-trifluoromethyl-phenyl)-ethanone; treatment of migriane ARRAY BIOPHARMA, INC. 2008-04-24 US disclosed
EP-1817301-A1 POTENTIATORS OF GLUTAMATE RECEPTORS ELI LILLY AND COMPANY (US) 2007-08-15 EP disclosed
EP-1817300-A1 POTENTIATORS OF GLUTAMATE RECEPTORS ELI LILLY AND COMPANY (US) 2007-08-15 EP disclosed
WO-2006057860-A1 POTENTIATORS OF GLUTAMATE RECEPTORS ELI LILLY AND COMPANY (US) 2006-06-01 WO disclosed
WO-2006057870-A1 POTENTIATORS OF GLUTAMATE RECEPTORS ELI LILLY AND COMPANY (US) 2006-06-01 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 (4 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-20080139505-A1 Potentiators Of Glutamate Receptors GRM1, GRIN1, GRM2 PRKACA 2700/4885HSP90AA1 3869/4885AURKA 3730/4885
US-20090318481-A1 Potentiators Of Glutamate Receptors GRIK1, GRIK2, GRIK4 PRKACA 1763/4885HSP90AA1 2687/4885AURKA 3030/4885
US-20080096930-A1 1-(2-hydroxy-3-methyl-4-{4-[4-(1H-tetrazol-5-yl)-pyridin-2-yloxy]-benzyloxy}-phenyl)-ethanone; 6-(3-((4-acetyl-3-hydroxy-2-propylphenoxy)methyl)phenylthio)isonicotinic acid; 1-(2-hydroxy-4-{3-[4-(2H-tetrazol-5-yl)-pyridin-2-yloxy]-benzyloxy}-3-trifluoromethyl-phenyl)-ethanone; treatment of migriane HTR7, UGT2B7, HK1 PRKACA 3936/4885HSP90AA1 1893/4885AURKA 696/4885
US-20090318483-A1 Potentiators Of Glutamate Receptors GRIK1, GRIK2, GRIK4 PRKACA 1763/4885HSP90AA1 2687/4885AURKA 3030/4885

“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.