SCHEMBL6636014

SCHEMBL6636014

CCOC(=O)c1cnc(NCc2ccc(OC)c(OC)c2)n2nc(-c3ccoc3)nc12

nearest known ligand 0.76

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 19/20 0.76
ADORA2A P29274 19/20 0.76
ADORA1 P30542 19/20 0.76
ADORA2B P29275 10/20 0.76
MEN1 O00255 1/20 0.50
POLB P06746 1/20 0.50
THRB P10828 1/20 0.50
KMT2A Q03164 1/20 0.50

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
SCHEMBL6633179 0.90 ADORA3 (0.75) ADORA3ADORA2AADORA1ADORA2BMEN1
SCHEMBL6633053 0.89 ADORA3 (0.77) ADORA3ADORA2AADORA1ADORA2BMEN1
SCHEMBL6633080 0.89 ADORA3 (0.73) ADORA3ADORA2AADORA1ADORA2BMEN1
SCHEMBL6623145 0.86 ADORA3 (1.00) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL6636461 0.86 ADORA3 (0.73) ADORA3ADORA2AADORA1ADORA2BMEN1
SCHEMBL6632058 0.86 ADORA3 (0.60) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL6632946 0.85 ADORA3 (0.73) ADORA3ADORA2AADORA1ADORA2BMEN1
SCHEMBL6631570 0.85 ADORA3 (0.76) ADORA3ADORA2AADORA1ADORA2BMEN1
SCHEMBL6632500 0.84 ADORA3 (0.74) ADORA3ADORA2AADORA1ADORA2BMEN1
SCHEMBL6632523 0.83 ADORA3 (0.73) ADORA3ADORA2AADORA1ADORA2BMEN1

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.