SCHEMBL12257985

SCHEMBL12257985

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

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ADORA1 P30542 3/20 0.47
▸ ADORA3 P0DMS8 1/20 0.47
▸ MAOB P27338 1/20 0.47
▸ ADORA2A P29274 1/20 0.47
▸ GLA P06280 1/20 0.45
▸ ADORA2B P29275 1/20 0.45
▸ BLM P54132 1/20 0.45

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
SCHEMBL12257425 0.92 ADORA1 (0.47) ADORA1ADORA3MAOBADORA2AGLA
SCHEMBL12257462 0.91 ADORA2A (0.49) ADORA1ADORA3MAOBADORA2AADORA2B
SCHEMBL12257518 0.91 ADORA1 (0.49) ADORA1ADORA3MAOBADORA2AGLA
SCHEMBL12256472 0.83 ADORA2A (0.45) ADORA1ADORA3MAOBADORA2AADORA2B
SCHEMBL12259507 0.83 ADORA2B (0.46) ADORA1ADORA3MAOBADORA2AADORA2B
SCHEMBL12257272 0.83 ADORA2A (0.44) ADORA1ADORA3MAOBADORA2AADORA2B
SCHEMBL12259553 0.83 ADORA1 (0.57) ADORA1MAOBADORA2AGLAADORA2B
SCHEMBL12257531 0.83 KDM4E (0.51) ADORA1ADORA2AGLAADORA2BBLM
SCHEMBL4949594 0.82 ADORA1 (0.46) ADORA1ADORA3MAOBADORA2AGLA
SCHEMBL8184575 0.82 ADORA2A (0.54) ADORA1ADORA3MAOBADORA2AADORA2B

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 ADORA1 314/4885ADORA3 248/4885MAOB 54/4885

“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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