SCHEMBL6632436

SCHEMBL6632436

COc1ccc(CNc2ncc(C=O)c3nc(Cc4ccccc4)nn23)cc1OC

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 6/20 0.52
ADORA2A P29274 6/20 0.52
ADORA1 P30542 6/20 0.52
ADORA2B P29275 2/20 0.52
SMN1; SMN2 Q16637 3/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
THRB P10828 1/20 0.44
GAA P10253 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ACHE P22303 2/20 0.42
BCHE P06276 1/20 0.42
LMNA P02545 2/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL6631816 0.87 ADORA3 (0.58) ADORA3ADORA2AADORA1ADORA2BSMN1; SMN2
SCHEMBL6633307 0.86 ADORA3 (0.51) ADORA3ADORA2AADORA1ADORA2BSMN1; SMN2
SCHEMBL6630937 0.85 ADORA3 (0.51) ADORA3ADORA2AADORA1ADORA2BSMN1; SMN2
SCHEMBL6632120 0.84 ADORA3 (0.55) ADORA3ADORA2AADORA1ADORA2BSMN1; SMN2
SCHEMBL6633062 0.83 ADORA3 (0.69) ADORA3ADORA2AADORA1ADORA2BSMN1; SMN2
SCHEMBL6632798 0.83 ADORA3 (0.54) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL6632142 0.82 ADORA3 (0.53) ADORA3ADORA2AADORA1ADORA2BSMN1; SMN2
SCHEMBL6631809 0.81 ADORA3 (0.46) ADORA3ADORA2AADORA1ADORA2BSMN1; SMN2
SCHEMBL6633336 0.80 ADORA3 (0.53) ADORA3ADORA2AADORA1ADORA2BTHRB
SCHEMBL6623318 0.80 ADORA3 (0.76) 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.