SCHEMBL6633997

SCHEMBL6633997

Nc1ncc(CN2CCN(CCCc3ccccc3)CC2)c2nc(-c3ccco3)nn12

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 15/20 0.58
ADORA1 P30542 12/20 0.58
ADORA2B P29275 10/20 0.57
ADORA3 P0DMS8 9/20 0.57
ADRA2A P08913 1/20 0.56
ADRA2B P18089 1/20 0.56
ADRA2C P18825 1/20 0.56
KDM4E B2RXH2 1/20 0.52
NPC1 O15118 1/20 0.52
ALDH1A1 P00352 1/20 0.52
TP53 P04637 1/20 0.52
CYP3A4 P08684 1/20 0.52
HPGD P15428 1/20 0.52
ALOX15 P16050 1/20 0.52
MAPK1 P28482 1/20 0.52
RAB9A P51151 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
HSD17B10 Q99714 1/20 0.52

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
SCHEMBL6631565 0.94 ADRA2A (0.57) ADORA2AADORA1ADORA2BADORA3ADRA2A
SCHEMBL6632665 0.90 ADORA2A (0.63) ADORA2AADORA1ADORA2BADORA3ADRA2A
SCHEMBL6623375 0.85 ADRA2A (0.67) ADORA2AADORA1ADORA2BADORA3ADRA2A
SCHEMBL6635624 0.85 ADORA2A (0.63) ADORA2A
SCHEMBL6622066 0.85 ADORA2A (0.61) ADORA2AADORA1ADRA2AADRA2BADRA2C
SCHEMBL6633439 0.83 ADRA2A (0.56) ADORA2AADORA1ADORA2BADORA3ADRA2A
SCHEMBL6631136 0.83 ADORA2A (0.56) ADORA2AADORA1ADORA2BADORA3ADRA2A
SCHEMBL6635768 0.83 ADRA2A (0.57) ADORA2AADORA1ADORA2BADORA3ADRA2A
SCHEMBL6635084 0.83 ADRA2A (0.59) ADORA2AADORA1ADRA2AADRA2BADRA2C
SCHEMBL6632330 0.82 ADRA2A (0.71) ADORA2AADORA1ADORA2BADORA3ADRA2A

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 ADORA2A 89/4885ADORA1 129/4885ADORA2B 170/4885

“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.