SCHEMBL2555083

SCHEMBL2555083

C#CCn1c(=O)[nH]c(N)c(NC(=O)C#CCCCCC)c1=O

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.33
▸ GAA P10253 2/20 0.33
▸ ADORA3 P0DMS8 1/20 0.33
▸ ADORA2B P29275 1/20 0.33
▸ ADORA2A P29274 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ EPHX2 P34913 2/20 0.30

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
SCHEMBL2578107 0.81 ALDH1A1 (0.35) KDM4EADORA3ADORA2BADORA2AALDH1A1
SCHEMBL9904076 0.70 ADORA2B (0.37) KDM4EADORA3ADORA2BADORA2AALDH1A1
SCHEMBL9943564 0.69 PDE4A (0.35) ADORA3ADORA2BADORA2AALDH1A1MEN1
SCHEMBL24305162 0.67 TNKS2 (0.38) KDM4EADORA3ADORA2BALDH1A1LMNA
SCHEMBL2547498 0.66 ADORA2B (0.47) ADORA3ADORA2BADORA2A
SCHEMBL24304750 0.65 PKM (0.44) GAAALDH1A1MEN1KMT2A
SCHEMBL24304732 0.65 ADORA3 (0.43) ADORA3ADORA2BMEN1KMT2A
SCHEMBL24305416 0.65 TSHR (0.35) KDM4EGAAADORA3ADORA2BADORA2A
SCHEMBL24304729 0.65 TNKS (0.38) KDM4EGAAADORA3ADORA2BKMT2A
SCHEMBL2535080 0.65 ADORA3 (0.46) ADORA3ADORA2B

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2097415-B1 8-ETHINYLXANTHINE DERIVATIVES AS SELECTIVE A2A RECEPTOR ANTAGONISTS UNIV BONN (DE) 2014-10-29 — — EP disclosed
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
EP-1939197-A1 8-ethinylxanthine derivatives as selective A2A receptor antagonists SCHWARZ PHARMA AG (DE) 2008-07-02 — — EP 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 KDM4E 3538/4885GAA 96/4885ADORA3 248/4885

“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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