SCHEMBL12257516

SCHEMBL12257516

C#CCn1c(=O)[nH]c2nc(-c3ccc(OC)c(OC)c3)[nH]c2c1=O

nearest known ligand 0.66

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ADORA2B P29275 15/20 0.66
▸ ADORA3 P0DMS8 7/20 0.66
▸ ADORA2A P29274 1/20 0.47

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
SCHEMBL2541211 0.81 ADORA2B (0.47) ADORA2BADORA3ADORA2A
SCHEMBL8184239 0.81 ADORA2B (0.54) ADORA2BADORA2A
SCHEMBL8194749 0.80 ADORA2A (0.52) ADORA2BADORA3ADORA2A
SCHEMBL8185857 0.79 KDM4E (0.46) ADORA2BADORA3
SCHEMBL2541031 0.71 ADORA3 (0.38) ADORA2BADORA3ADORA2A
SCHEMBL12256659 0.71 ADORA2A (0.53) ADORA2BADORA2A
SCHEMBL14142760 0.71 ADORA2B (0.57) ADORA2BADORA3ADORA2A
SCHEMBL15988336 0.69 ADORA2B (0.73) ADORA2BADORA3ADORA2A
SCHEMBL21153880 0.68 ADORA2B (0.49) ADORA2BADORA2A
SCHEMBL25090458 0.67 ADORA2A (0.75) ADORA2BADORA2A

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
US-8044061-B2 Parkinson's disease, catalepsy, dystonia, dyskinetic syndrome, restless legs syndrome, migraine, pain, dementia, neurodegenerative disorders, alcohol withdrawal and/or ischemic conditions such as e.g. stroke or cardiac ischemia. UCB PHARMA GMBH (DE) 2011-10-25 — — US disclosed
US-20080221134-A1 8-ALKYNYLXANTHINES AND DERIVATIVES RHEINISCHE FRIEDRICH-WILHELMS-UNIVERSITAET BONN (DE) 2008-09-11 — — 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-20080221134-A1 8-ALKYNYLXANTHINES AND DERIVATIVES SLC6A3, PARK7, SLC18A2 ADORA2B 279/4885ADORA3 248/4885ADORA2A 115/4885

“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.

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