SCHEMBL6632176

SCHEMBL6632176

COc1ccc(CNc2ncc(C=C3SCCCS3)c3nc(-c4ccco4)nn23)cc1OC

nearest known ligand 0.66

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 17/20 0.66
ADORA2A P29274 17/20 0.66
ADORA1 P30542 17/20 0.66
ADORA2B P29275 8/20 0.65
MAPT P10636 1/20 0.48

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
SCHEMBL6623318 0.86 ADORA3 (0.76) ADORA3ADORA2AADORA1ADORA2BMAPT
SCHEMBL6624470 0.81 ADORA3 (0.76) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL6632936 0.81 ADORA3 (0.72) ADORA3ADORA2AADORA1ADORA2BMAPT
SCHEMBL6624951 0.80 ADORA3 (0.87) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL6624833 0.80 ADORA3 (1.00) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL6636172 0.80 ADORA3 (0.73) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL6655108 0.79 ADORA3 (0.70) ADORA3ADORA2AADORA1ADORA2BMAPT
SCHEMBL6624650 0.79 ADORA3 (0.72) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL6625227 0.79 ADORA3 (0.85) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL6632547 0.78 ADORA3 (0.71) ADORA3ADORA2AADORA1ADORA2BMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1430898-A1 RECEPTOR ANTAGONIST KYOWA HAKKO KOGYO CO., LTD. (JP) 2004-06-23 EP disclosed
US-20040110826-A1 Receptor Antagonists KYOWA HAKKO KOGYO CO., LTD. (JP) 2004-06-10 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 (1 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-20040110826-A1 Receptor Antagonists ADRA2C, OPRL1, ADRB1 ADORA3 85/4885ADORA2A 89/4885ADORA1 129/4885

“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.