SCHEMBL4854423

SCHEMBL4854423

Cn1cc(COc2cc(-c3ccccn3)nc3ccsc23)nn1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.42
ADORA1 P30542 2/20 0.42
METAP1 P53582 1/20 0.38
BRD4 O60885 3/20 0.38
FFAR1 O14842 5/20 0.35
SLC2A1 P11166 2/20 0.35
NCF1 P14598 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA5 P31644 1/20 0.35
GABRA3 P34903 1/20 0.35
GABRA2 P47869 1/20 0.35
PIK3CD O00329 1/20 0.34
MET P08581 1/20 0.34

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
SCHEMBL4847212 0.88 BRD4 (0.39) ADORA1BRD4NCF1GABRA1GABRG2
SCHEMBL4847192 0.77 ADORA2A (0.44) ADORA2AADORA1METAP1SLC2A1
SCHEMBL8140217 0.76 ADORA2A (0.50) ADORA2AADORA1METAP1SLC2A1PIK3CD
SCHEMBL4856218 0.70 LMNA (0.52) ADORA1BRD4NCF1GABRA1GABRG2
SCHEMBL4855811 0.70 SYK (0.46) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL4854167 0.70 ATM (0.46) ADORA2AADORA1SLC2A1
SCHEMBL4854416 0.67 ADORA2A (0.39) ADORA2AADORA1METAP1SLC2A1
SCHEMBL4735939 0.67 ADORA2A (0.50) ADORA2AADORA1METAP1SLC2A1
SCHEMBL4736973 0.67 CCR1 (0.51) ADORA2AADORA1METAP1SLC2A1
SCHEMBL4847943 0.66 MET (0.36) FFAR1MET

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-20050154008-A1 Aryl fused substituted 4-oxy-pyridines NEUROGEN CORPORATION, A CORPORATION OF THE STATE OF DELAWARE (US) 2005-07-14 US claimed
US-20020035121-A1 Aryl fused substituted 4-oxy-pyridines CAI GUOLIN (US) 2002-03-21 US claimed
US-7371752-B2 Aryl fused substituted 4-oxy-pyridines NEUROGEN CORPORATION (US) 2008-05-13 US disclosed
US-20050154008-A1 Aryl fused substituted 4-oxy-pyridines NEUROGEN CORPORATION, A CORPORATION OF THE STATE OF DELAWARE (US) 2005-07-14 US disclosed
US-6828329-B2 Agonists, antagonists for gamma-aminobutyric acid brain receptors useful in diagnosis and treatment of anxiety depressionm, down syndrome, sleep and seizure disorders NEUROGEN CORPORATION 2004-12-07 US disclosed
US-20020035121-A1 Aryl fused substituted 4-oxy-pyridines CAI GUOLIN (US) 2002-03-21 US 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-20050154008-A1 Aryl fused substituted 4-oxy-pyridines CHRNA7, CHRNA4, GABRA6 ADORA2A 81/4885ADORA1 109/4885METAP1 4685/4885
US-20020035121-A1 Aryl fused substituted 4-oxy-pyridines GABRA4, GABRA6, GABRG2 ADORA2A 73/4885ADORA1 80/4885METAP1 4633/4885

“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.