SCHEMBL6800532

SCHEMBL6800532

CSc1sc(-c2ccncc2)c2c1C(=O)CCC2

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 7/20 0.65
GABRB3 P28472 7/20 0.65
GABRA5 P31644 7/20 0.65
GABRA1 P14867 6/20 0.65
GABRA3 P34903 6/20 0.65
GABRA2 P47869 6/20 0.65
LRRK2 Q5S007 8/20 0.64
KDM4E B2RXH2 2/20 0.53
ALDH1A1 P00352 2/20 0.53
POLB P06746 1/20 0.53
RXFP1 Q9HBX9 1/20 0.53
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
MAPT P10636 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37

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
SCHEMBL23111604 0.86 LRRK2 (0.60) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL7462795 0.85 GABRG2 (0.69) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL6803866 0.83 KDM4E (0.52) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL7458508 0.78 GABRG2 (0.67) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL6800307 0.77 LRRK2 (0.42) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL12498119 0.75 LRRK2 (0.60) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL7463979 0.75 LRRK2 (0.57) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL7455903 0.74 GABRA1 (0.67) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL6801295 0.73 KDM4E (0.43) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL6799224 0.73 MAPT (0.55) GABRG2GABRB3GABRA5GABRA1GABRA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040142976-A1 Pyridylfuran and pyridylthiophene compounds PFIZER INC. 2004-07-22 US claimed
US-20020022729-A1 Pyridylfuran and pyridylthiophene compounds KAWAI AKIYOSHI (JP) 2002-02-21 US claimed
EP-0937072-B1 THIENYLCYCLOHEXANONE DERIVATIVES AS LIGANDS OF THE GABA A alpha5 RECEPTOR SUBTYPE MERCK SHARP & DOHME (GB) 2002-01-09 EP claimed
EP-0853083-B1 Pyridylfuran and pyridylthiophene compounds and pharmaceutical use thereof PFIZER (US) 2001-09-12 EP claimed
US-6262103-B1 ALZHEIMER'S DISEASE. MERCK SHARP & DOHME LIMITED (GB) 2001-07-17 US claimed
JP-2001503408-A 2001-03-13 JP claimed
EP-0937072-A1 THIENYLCYCLOHEXANONE DERIVATIVES AS LIGANDS OF THE GABA A? $g(a)5 RECEPTOR SUBTYPE MERCK SHARP & DOHME LTD. (GB) 1999-08-25 EP claimed
EP-0853083-A1 Pyridylfuran and pyridylthiophene compounds and pharmaceutical use thereof PFIZER INC. (US) 1998-07-15 EP claimed
WO-1998018792-A1 THIENYLCYCLOHEXANONE DERIVATIVES AS LIGANDS OF THE GABAA α5 RECEPTOR SUBTYPE MERCK SHARP & DOHME LIMITED (GB) 1998-05-07 WO claimed
US-20040142976-A1 Pyridylfuran and pyridylthiophene compounds PFIZER INC. 2004-07-22 US disclosed
US-6696470-B2 FOR THERAPY OF ARTHRITIS, ASTHMA, BONE RESORPTION DISEASE, CACHEXIA, CARDIOVASCULAR DISEASE, CEREBRAL MALARIA, CROHN'S DISEASE, DIABETES, FEVER OR MYALGIA DUE TO INFECTION, GOUT, GRAFT VERSUS HOST REACTION, INFLAMMATION OF ORGANS, ETC. PFIZER INC. 2004-02-24 US disclosed
US-20020022729-A1 Pyridylfuran and pyridylthiophene compounds KAWAI AKIYOSHI (JP) 2002-02-21 US disclosed
EP-0937072-B1 THIENYLCYCLOHEXANONE DERIVATIVES AS LIGANDS OF THE GABA A alpha5 RECEPTOR SUBTYPE MERCK SHARP & DOHME (GB) 2002-01-09 EP disclosed
EP-0853083-B1 Pyridylfuran and pyridylthiophene compounds and pharmaceutical use thereof PFIZER (US) 2001-09-12 EP disclosed
US-6262103-B1 ALZHEIMER'S DISEASE. MERCK SHARP & DOHME LIMITED (GB) 2001-07-17 US disclosed
US-6048880-A THERAPY FOR CYTOKINE SENSITIVE DISEASES PFIZER PHARAMACEUTICALS INC. (JP) 2000-04-11 US disclosed
EP-0853083-A1 Pyridylfuran and pyridylthiophene compounds and pharmaceutical use thereof PFIZER INC. (US) 1998-07-15 EP 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-20040142976-A1 Pyridylfuran and pyridylthiophene compounds MC2R, FCGR2A, OGFR GABRG2 863/4885GABRB3 485/4885GABRA5 504/4885
US-20020022729-A1 Pyridylfuran and pyridylthiophene compounds MC2R, CRHR1, NR3C2 GABRG2 927/4885GABRB3 559/4885GABRA5 533/4885

“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.