SCHEMBL4854161

SCHEMBL4854161

Oc1cc(-c2ccc(F)cn2)nc2ccsc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 2/20 0.36
MAPT P10636 5/20 0.36
ADORA2A P29274 2/20 0.36
ADORA1 P30542 2/20 0.36
NPC1 O15118 4/20 0.34
RAB9A P51151 4/20 0.34
NPSR1 Q6W5P4 3/20 0.34
CTDSP1 Q9GZU7 2/20 0.34
ATM Q13315 1/20 0.34
RXFP1 Q9HBX9 2/20 0.34
APP P05067 1/20 0.34
GLA P06280 1/20 0.33
KMT2A Q03164 1/20 0.33
GRM5 P41594 1/20 0.33
ALDH1A1 P00352 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
AXL P30530 1/20 0.32
MKNK1 Q9BUB5 1/20 0.32
MKNK2 Q9HBH9 1/20 0.32
KDR P35968 1/20 0.31

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
SCHEMBL4848277 0.81 MAPT (0.48) MAPTADORA2ANPC1RAB9ANPSR1
SCHEMBL4735939 0.77 ADORA2A (0.50) ADORA2BADORA2AADORA1NPC1RAB9A
SCHEMBL4851510 0.76 DHODH (0.44) MAPTNPC1RAB9ANPSR1CTDSP1
SCHEMBL4851274 0.74 TGFBR1 (0.41) MAPTNPC1RAB9ARXFP1GLA
SCHEMBL4855822 0.72 MPL (0.43) ADORA2BMAPTADORA2AADORA1NPC1
SCHEMBL4857319 0.72 ADORA2A (0.38) ADORA2BMAPTADORA2AADORA1NPC1
SCHEMBL4849466 0.71 MAPT (0.48) MAPTGRM5ALDH1A1
SCHEMBL4849634 0.71 MAPT (0.45) MAPTADORA2AADORA1KMT2AALDH1A1
SCHEMBL811754 0.68 GRM5 (0.47) MAPTNPC1RXFP1GRM5TRPV3
SCHEMBL23937847 0.66 ADORA2A (0.40) ADORA2BMAPTADORA2AADORA1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7371752-B2 Aryl fused substituted 4-oxy-pyridines NEUROGEN CORPORATION (US) 2008-05-13 US claimed
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 ADORA2B 211/4885MAPT 1361/4885ADORA2A 81/4885
US-20020035121-A1 Aryl fused substituted 4-oxy-pyridines GABRA4, GABRA6, GABRG2 ADORA2B 190/4885MAPT 1219/4885ADORA2A 73/4885

“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.