SCHEMBL1850397

SCHEMBL1850397

N#Cc1sc(NC(=O)C2CCC(OC=O)CC2)nc1-c1cccc(F)c1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 4/20 0.54
ADORA2A P29274 5/20 0.46
ADORA1 P30542 4/20 0.46
ADORA2B P29275 1/20 0.46
ACHE P22303 3/20 0.44
GSK3A P49840 1/20 0.43
GSK3B P49841 1/20 0.43
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ABL1 P00519 3/20 0.39

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
SCHEMBL1847125 0.94 ADORA3 (0.53) ADORA3ADORA2AADORA1ADORA2BACHE
SCHEMBL1855867 0.90 ADORA3 (0.51) ADORA3ADORA2AADORA1ADORA2BACHE
SCHEMBL1849890 0.90 ADORA3 (0.44) ADORA3ADORA2AADORA1ACHEGSK3B
SCHEMBL1852777 0.89 ADORA2A (0.52) ADORA3ADORA2AADORA1ACHEGSK3A
SCHEMBL1847202 0.88 ACHE (0.47) ADORA3ADORA2AADORA1ADORA2BACHE
SCHEMBL1847530 0.88 ADORA3 (0.59) ADORA3ADORA2AADORA1ADORA2BACHE
SCHEMBL3770544 0.88 KDR (0.47) ADORA3ADORA2AADORA1GSK3B
SCHEMBL1850813 0.87 ADORA3 (0.67) ADORA3ADORA2AADORA1ADORA2BACHE
SCHEMBL1848987 0.87 ADORA3 (0.67) ADORA3ADORA2AADORA1ADORA2BACHE
SCHEMBL1848588 0.87 ADORA3 (0.58) ADORA3ADORA2AADORA1ADORA2BACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8410282-B2 Compounds as adenosine A1 receptor antagonists PALOBIOFARMA, S.L. (ES) 2013-04-02 US claimed
EP-2197860-B1 NEW COMPOUNDS AS ADENOSINE A1 RECEPTOR ANTAGONISTS PALOBIOFARMA SL (ES) 2011-05-25 EP claimed
US-20100311703-A1 NEW COMPOUNDS AS ADENOSINE A1 RECEPTOR ANTAGONISTS PALOBIOFARMA, S.L. (ES) 2010-12-09 US claimed
US-8410282-B2 Compounds as adenosine A1 receptor antagonists PALOBIOFARMA, S.L. (ES) 2013-04-02 US disclosed
EP-2197860-B1 NEW COMPOUNDS AS ADENOSINE A1 RECEPTOR ANTAGONISTS PALOBIOFARMA SL (ES) 2011-05-25 EP disclosed
US-20100311703-A1 NEW COMPOUNDS AS ADENOSINE A1 RECEPTOR ANTAGONISTS PALOBIOFARMA, S.L. (ES) 2010-12-09 US disclosed
EP-2197860-A1 NEW COMPOUNDS AS ADENOSINE A1 RECEPTOR ANTAGONISTS Palobiofarma, S.L. (ES) 2010-06-23 EP disclosed
WO-2009044250-A1 NEW COMPOUNDS AS ADENOSINE A1 RECEPTOR ANTAGONISTS PALOBIOFARMA, S.L. (ES) 2009-04-09 WO 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-20100311703-A1 NEW COMPOUNDS AS ADENOSINE A1 RECEPTOR ANTAGONISTS ADORA1, ADORA2A, ADORA3 ADORA3 3/4885ADORA2A 2/4885ADORA1 1/4885

“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.