SCHEMBL1944313

SCHEMBL1944313

COc1ccc(Cn2c(=O)c3c(nc(-c4ccc(O)cc4)n3C(=O)OC(C)(C)C)n(Cc3ccc(OC)cc3)c2=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 4/20 0.46
ALDH1A1 P00352 5/20 0.43
KDM4E B2RXH2 2/20 0.43
HPGD P15428 2/20 0.43
MAPT P10636 2/20 0.43
GAA P10253 2/20 0.43
HTT P42858 1/20 0.43
MTOR P42345 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ADORA1 P30542 1/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
PDE5A O76074 3/20 0.42
PDE4A P27815 1/20 0.42
PDE4B Q07343 1/20 0.42
PDE4C Q08493 1/20 0.42
PDE4D Q08499 1/20 0.42
THRB P10828 1/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL1945199 0.89 ADORA3 (0.40) ADORA3HPGDHTTMEN1KMT2A
SCHEMBL1945222 0.88 MEN1 (0.41) ADORA3ALDH1A1KDM4EHPGDMAPT
SCHEMBL2533812 0.85 ADORA2A (0.35) ADORA3HPGDADORA1MEN1KMT2A
SCHEMBL1947385 0.83 MAPT (0.43) ALDH1A1HPGDMAPTHTTNPSR1
SCHEMBL1945740 0.83 MAOB (0.44) ADORA1PDE5A
SCHEMBL1946574 0.82 ADORA2B (0.45) ADORA3ALDH1A1KDM4EHPGDMTOR
SCHEMBL1946588 0.82 ADORA2B (0.53)
SCHEMBL1948035 0.81 ALDH1A1 (0.63) ADORA3ALDH1A1KDM4EHPGDMAPT
SCHEMBL1946577 0.77 PIK3CD (0.35) ALDH1A1MTOR
SCHEMBL1946828 0.75 ADORA2B (0.51) GAAMEN1KMT2A

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130123280-A1 A2B ADENOSINE RECEPTOR ANTAGONISTS GILEAD SCIENCES, INC. (US) 2013-05-16 US disclosed
US-8324224-B2 A2B adenosine receptor antagonists GILEAD SCIENCES, INC. (US) 2012-12-04 US disclosed
US-20110257127-A1 A2B ADENOSINE RECEPTOR ANTAGONISTS GILEAD SCIENCES, INC. (US) 2011-10-20 US disclosed
US-20110130362-A1 A2B ADENOSINE RECEPTOR ANTAGONISTS GILEAD SCIENCES, INC. (US) 2011-06-02 US disclosed
US-7795269-B2 A2B adenosine receptor antagonists GILEAD PALO ALTO, INC. (US) 2010-09-14 US disclosed
US-20100222300-A1 A2B Adenosine Receptor Antagonists GILEAD PALO ALTO, INC. (US) 2010-09-02 US disclosed
US-7741331-B2 A2B adenosine receptor antagonists GILEAD PALO ALTO, INC. (US) 2010-06-22 US disclosed
US-20080318983-A1 A2B ADENOSINE RECEPTOR ANTAGONISTS GILEAD SCIENCES, INC. 2008-12-25 US disclosed
US-20080194593-A1 A2B ADENOSINE RECEPTOR ANTAGONISTS GILEAD SCIENCES, INC. 2008-08-14 US disclosed
US-20080153856-A1 A2B ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS, INC. 2008-06-26 US disclosed
US-7105665-B2 A2B adenosine receptor antagonists CV THERAPEUTICS, INC. (US) 2006-09-12 US disclosed
US-6977300-B2 A2B adenosine receptor antagonists CV THERAPEUTICS, INC. (US) 2005-12-20 US disclosed
US-20050261316-A1 A2B Adenosine receptor antagonists CV THERAPEUTICS, INC. 2005-11-24 US disclosed
US-20050101778-A1 A2B adenosine receptor antagonists GILEAD SCIENCES, INC. 2005-05-12 US disclosed
US-20050038045-A1 A2B adenosine receptor antagonists CV THERAPEUTICS, INC. 2005-02-17 US disclosed
US-6825349-B2 PURINE DERIVATIVES FOR TREATMENT OF GASTROINTESTINAL DISORDERS, IMMUNOLOGICAL DISORDERS, NEUROLOGICAL DISORDERS CV THERAPEUTICS INC. 2004-11-30 US disclosed
EP-1444233-A2 A 2B? ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS, INC. (US) 2004-08-11 EP disclosed
US-20030229106-A1 A2B adenosine receptor antagonists GILEAD SCIENCES, INC. 2003-12-11 US disclosed
US-20030139428-A1 A2B adenosine receptor antagonists GILEAD SCIENCES, INC. 2003-07-24 US disclosed
WO-2003042214-A2 A2B ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS, INC. (US) 2003-05-22 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 (12 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-20080194593-A1 A2B ADENOSINE RECEPTOR ANTAGONISTS ADORA2B, ADORA2A, ADORA1 ADORA3 5/4885ALDH1A1 443/4885KDM4E 4384/4885
US-20110257127-A1 A2B ADENOSINE RECEPTOR ANTAGONISTS ADORA2B, ADORA2A, ADORA1 ADORA3 4/4885ALDH1A1 875/4885KDM4E 4389/4885
US-20050038045-A1 A2B adenosine receptor antagonists ADORA2B, ADORA2A, ADORA1 ADORA3 4/4885ALDH1A1 875/4885KDM4E 4389/4885
US-20050101778-A1 A2B adenosine receptor antagonists ADORA2B, ADORA2A, ADORA1 ADORA3 5/4885ALDH1A1 505/4885KDM4E 4126/4885
US-20100222300-A1 A2B Adenosine Receptor Antagonists ADORA2B, ADORA2A, ADORA1 ADORA3 4/4885ALDH1A1 875/4885KDM4E 4389/4885
US-20030139428-A1 A2B adenosine receptor antagonists ADORA2B, ADORA2A, ADORA1 ADORA3 4/4885ALDH1A1 691/4885KDM4E 4096/4885
US-20030229106-A1 A2B adenosine receptor antagonists ADORA2B, ADORA2A, ADORA1 ADORA3 4/4885ALDH1A1 691/4885KDM4E 4096/4885
US-20080318983-A1 A2B ADENOSINE RECEPTOR ANTAGONISTS ADORA2B, ADORA2A, ADORA1 ADORA3 5/4885ALDH1A1 443/4885KDM4E 4384/4885
US-20050261316-A1 A2B Adenosine receptor antagonists ADORA2B, ADORA2A, ADORA1 ADORA3 4/4885ALDH1A1 875/4885KDM4E 4389/4885
US-20080153856-A1 A2B ADENOSINE RECEPTOR ANTAGONISTS ADORA2B, ADORA2A, ADORA1 ADORA3 4/4885ALDH1A1 875/4885KDM4E 4389/4885
US-20130123280-A1 A2B ADENOSINE RECEPTOR ANTAGONISTS ADORA2B, ADORA2A, ADORA1 ADORA3 4/4885ALDH1A1 875/4885KDM4E 4389/4885
US-20110130362-A1 A2B ADENOSINE RECEPTOR ANTAGONISTS ADORA2B, ADORA2A, ADORA1 ADORA3 4/4885ALDH1A1 875/4885KDM4E 4389/4885

“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.