SCHEMBL4854416

SCHEMBL4854416

CC(Oc1cc(-c2ccccn2)nc2ccsc12)c1c[nH]nn1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 10/20 0.39
ADORA1 P30542 4/20 0.39
ADORA3 P0DMS8 4/20 0.35
METAP1 P53582 1/20 0.34
SLC2A1 P11166 1/20 0.34
ADORA2B P29275 7/20 0.33
CBFB Q13951 1/20 0.33
ADRA2A P08913 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
TRPM8 Q7Z2W7 1/20 0.33
SYK P43405 2/20 0.32
FLT3 P36888 1/20 0.32
AURKB Q96GD4 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
SCHEMBL4847213 0.86 SMN1; SMN2 (0.37) ADORA2AADORA1
SCHEMBL8140217 0.76 ADORA2A (0.50) ADORA2AADORA1METAP1SLC2A1CBFB
SCHEMBL4853815 0.71 LMNA (0.35) METAP1SYKFLT3AURKB
SCHEMBL4856808 0.69 SMN1; SMN2 (0.53)
SCHEMBL4847192 0.68 ADORA2A (0.44) ADORA2AADORA1METAP1SLC2A1
SCHEMBL4854423 0.67 ADORA2A (0.42) ADORA2AADORA1METAP1SLC2A1
SCHEMBL4735939 0.67 ADORA2A (0.50) ADORA2AADORA1METAP1SLC2A1ADORA2B
SCHEMBL4736973 0.67 CCR1 (0.51) ADORA2AADORA1ADORA3METAP1SLC2A1
SCHEMBL4854167 0.66 ATM (0.46) ADORA2AADORA1SLC2A1NPC1RAB9A
SCHEMBL12192256 0.64 TRPM8 (0.56) ADORA2AADORA1ADORA3METAP1SLC2A1

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 109/4885ADORA3 169/4885
US-20020035121-A1 Aryl fused substituted 4-oxy-pyridines GABRA4, GABRA6, GABRG2 ADORA2A 73/4885ADORA1 80/4885ADORA3 153/4885

“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.