SCHEMBL12257948

SCHEMBL12257948

C#CCn1c(=O)c2c(nc(-c3ccc(Cl)c(Cl)c3)n2C)n(C)c1=O

nearest known ligand 0.70

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 2/20 0.52
▸ ADORA2B P29275 2/20 0.49
▸ GLA P06280 1/20 0.49
▸ BLM P54132 1/20 0.49
▸ ADORA3 P0DMS8 1/20 0.47
▸ ALDH1A1 P00352 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
SCHEMBL12256832 0.90 ADORA2B (0.48) MAOBADORA2B
SCHEMBL12256833 0.87 MAOB (0.71) MAOBADORA2BALDH1A1
SCHEMBL14082885 0.85 ADORA2B (0.54) ADORA2BGLABLMALDH1A1
SCHEMBL12257468 0.84 MAOB (0.57) MAOBADORA2BGLABLMALDH1A1
SCHEMBL12257591 0.83 MAOB (0.52) MAOBADORA2BALDH1A1
SCHEMBL12257518 0.83 ADORA1 (0.49) MAOBADORA2BGLABLMADORA3
SCHEMBL8173792 0.82 ADORA2B (0.67) MAOBADORA2BGLABLMALDH1A1
SCHEMBL12256807 0.81 MAOB (0.54) MAOBADORA2BGLABLMALDH1A1
SCHEMBL12259555 0.81 ADORA2B (0.58) MAOBADORA2BGLABLMALDH1A1
SCHEMBL8179908 0.81 MAOB (0.54) MAOBADORA2BGLABLMALDH1A1

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 MAOB 54/4885ADORA2B 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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