SCHEMBL6635624

SCHEMBL6635624

Nc1ncc(CCCN2CCN(c3ccccc3)CC2)c2nc(-c3ccco3)nn12

nearest known ligand 0.63

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 14/20 0.63

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
SCHEMBL6631619 0.94 ADORA2A (0.65) ADORA2A
SCHEMBL6622066 0.89 ADORA2A (0.61) ADORA2A
SCHEMBL6633997 0.85 ADORA2A (0.58) ADORA2A
SCHEMBL6632990 0.83 ADORA2A (0.64) ADORA2A
SCHEMBL6631565 0.81 ADRA2A (0.57) ADORA2A
SCHEMBL6633353 0.80 ADORA2A (0.55) ADORA2A
SCHEMBL6632402 0.80 ADORA2A (0.63) ADORA2A
SCHEMBL6633156 0.80 ADORA2A (0.63) ADORA2A
SCHEMBL14922329 0.80 ADORA2A (0.91) ADORA2A
SCHEMBL6636786 0.80 ADORA2A (0.55) ADORA2A

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 89/4885

“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.