SCHEMBL12257582

SCHEMBL12257582

C#CCn1c(=O)c2c(nc(-c3ccoc3)n2C)n(CC)c1=O

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 7/20 0.48
▸ ADORA2B P29275 6/20 0.48
▸ GLA P06280 1/20 0.42
▸ BLM P54132 1/20 0.42
▸ ADORA1 P30542 1/20 0.42

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
SCHEMBL12257592 0.82 ADORA2A (0.55) ADORA2AADORA2B
SCHEMBL4953154 0.81 GLA (0.41) ADORA2AADORA2BGLABLMADORA1
SCHEMBL12257541 0.81 ADORA2A (0.56) ADORA2AADORA2BADORA1
SCHEMBL12257991 0.81 ADORA2B (0.48) ADORA2AADORA2BGLABLM
SCHEMBL12256832 0.80 ADORA2B (0.48) ADORA2AADORA2B
SCHEMBL12257615 0.80 MAOB (0.60) ADORA2AADORA2B
SCHEMBL12257620 0.79 ADORA2B (0.45) ADORA2AADORA2B
SCHEMBL8184575 0.78 ADORA2A (0.54) ADORA2AADORA2BADORA1
SCHEMBL12256755 0.78 KDM4E (0.52) ADORA2AADORA2BGLABLMADORA1
SCHEMBL12256846 0.78 ADORA2A (0.58) ADORA2AADORA2BGLAADORA1

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 ADORA2A 115/4885ADORA2B 279/4885GLA 1605/4885

“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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