SCHEMBL3913962

SCHEMBL3913962

CS(=O)(=O)OC1CCC(Nc2nc(-c3ccccc3)nc3[nH]ccc23)CC1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA1 P30542 3/20 0.71
▸ ADORA2A P29274 2/20 0.71
▸ ADORA3 P0DMS8 1/20 0.71
▸ ADORA2B P29275 1/20 0.71
▸ ACP1 P24666 3/20 0.49
▸ CYP1A2 P05177 6/20 0.47
▸ CYP3A4 P08684 5/20 0.47
▸ CLK4 Q9HAZ1 5/20 0.47
▸ USP2 O75604 4/20 0.47
▸ CYP2C19 P33261 3/20 0.47
▸ IRAK4 Q9NWZ3 1/20 0.45
▸ GBA1 P04062 4/20 0.45
▸ PDE5A O76074 2/20 0.45
▸ PAK4 O96013 1/20 0.43
▸ HSD17B10 Q99714 4/20 0.43
▸ ALOX15 P16050 3/20 0.43
▸ LMNA P02545 3/20 0.43
▸ TP53 P04637 3/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43

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
SCHEMBL3913961 1.00 ADORA1 (0.71) ADORA1ADORA2AADORA3ADORA2BACP1
Derenofylline SCHEMBL3913966 0.88 ADORA1 (0.87) ADORA1ADORA2AADORA3ADORA2BACP1
Derenofylline SCHEMBL3913963 0.88 ADORA1 (0.87) ADORA1ADORA2AADORA3ADORA2BACP1
Derenofylline SCHEMBL24117119 0.83 ADORA1 (1.00) ADORA1ADORA2AADORA3ADORA2BACP1
Derenofylline SCHEMBL2832387 0.83 ADORA1 (1.00) ADORA1ADORA2AADORA3ADORA2BACP1
Derenofylline SCHEMBL2832386 0.83 ADORA1 (1.00) ADORA1ADORA2AADORA3ADORA2BACP1
SCHEMBL8366783 0.80 ADORA1 (0.79) ADORA1ADORA2AADORA3ADORA2BACP1
SCHEMBL14590963 0.78 ADORA1 (0.88) ADORA1ADORA2AADORA3ADORA2BACP1
SCHEMBL14590962 0.78 ADORA1 (0.88) ADORA1ADORA2AADORA3ADORA2BACP1
SCHEMBL14590960 0.78 ADORA1 (0.88) ADORA1ADORA2AADORA3ADORA2BACP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080027082-A1 USE OF ADENOSINE A1 ANTAGONISTS IN RADIOCONTRAST MEDIA INDUCED NEPHROPATHY SOLVAY PHARMACEUTICALS GMBH (DE) 2008-01-31 — — US claimed
CN-101472593-A Use of adenosine A1 antagonist in radiocontrast media induced nephropathy SOLVAY PHARM GMBH (DE) 2009-07-01 — — CN disclosed
EP-2035007-A1 USE OF ADENOSINE A1 ANTAGONIST IN RADIOCONTRAST MEDIA INDUCED NEPHROPATHY Solvay Pharmaceuticals GmbH (DE) 2009-03-18 — — EP disclosed
US-20080027082-A1 USE OF ADENOSINE A1 ANTAGONISTS IN RADIOCONTRAST MEDIA INDUCED NEPHROPATHY SOLVAY PHARMACEUTICALS GMBH (DE) 2008-01-31 — — US disclosed
WO-2007147809-A1 USE OF ADENOSINE A1 ANTAGONIST IN RADIOCONTRAST MEDIA INDUCED NEPHROPATHY SOLVAY PHARMACEUTICALS GMBH (DE) 2007-12-27 — — 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-20080027082-A1 USE OF ADENOSINE A1 ANTAGONISTS IN RADIOCONTRAST MEDIA INDUCED NEPHROPATHY ADORA1, ADORA2A, ADORA3 ADORA1 1/4885ADORA2A 2/4885ADORA3 3/4885

“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.

Send feedback