SCHEMBL6632985

SCHEMBL6632985

COc1ccc(CNc2ncc(CN3CCc4cc(OC)c(OC)cc4C3)c3nc(-c4ccncc4)nn23)cc1OC

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.52
ADRA2B P18089 1/20 0.52
ADRA2C P18825 1/20 0.52
DHFR P00374 1/20 0.45
ADORA3 P0DMS8 3/20 0.44
ADORA2A P29274 3/20 0.44
ADORA1 P30542 3/20 0.44
ADORA2B P29275 2/20 0.44
ABCB1 P08183 7/20 0.42
PDE4B Q07343 1/20 0.42
ABCC1 P33527 3/20 0.41
ABCG2 Q9UNQ0 3/20 0.41
KDM4E B2RXH2 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
MAPT P10636 1/20 0.41
TSHR P16473 1/20 0.41
KMT2A Q03164 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL6631165 0.95 ADRA2A (0.48) ADRA2AADRA2BADRA2CDHFRADORA3
SCHEMBL6632440 0.93 ADRA2A (0.54) ADRA2AADRA2BADRA2CDHFRADORA3
SCHEMBL6631958 0.92 ADRA2A (0.52) ADRA2AADRA2BADRA2CDHFRADORA3
SCHEMBL6631237 0.89 ADRA2A (0.54) ADRA2AADRA2BADRA2CDHFRADORA3
SCHEMBL6631260 0.89 ADRA2A (0.49) ADRA2AADRA2BADRA2CADORA3ADORA2A
SCHEMBL6631595 0.88 ADRA2A (0.52) ADRA2AADRA2BADRA2CDHFRADORA3
SCHEMBL6633272 0.88 ADRA2A (0.54) ADRA2AADRA2BADRA2CDHFRADORA3
SCHEMBL6632733 0.87 POLB (0.51) ADRA2AADRA2BADRA2CADORA3ADORA2A
SCHEMBL6632038 0.87 ADRA2A (0.52) ADRA2AADRA2BADRA2CDHFRADORA3
SCHEMBL6632948 0.86 ADRA2A (0.73) ADRA2AADRA2BADRA2CADORA3ADORA2A

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 ADRA2A 7/4885ADRA2B 13/4885ADRA2C 1/4885

“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.