Sugi Predict

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SCHEMBL1945199

SCHEMBL1945199

CC(C)(C)OC(=O)n1c(-c2ccc(O)cc2)nc2c1c(=O)n(Cc1ccncc1)c(=O)n2Cc1ccncc1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 5/20 0.40
▸ HPGD P15428 1/20 0.38
▸ PDE5A O76074 2/20 0.38
▸ ADORA2A P29274 5/20 0.37
▸ ADORA2B P29275 5/20 0.37
▸ HTT P42858 1/20 0.36
▸ CYP17A1 P05093 1/20 0.34
▸ GPR119 Q8TDV5 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ SLC16A3 O15427 1/20 0.34

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
SCHEMBL1945222 0.90 MEN1 (0.41) ADORA3HPGDPDE5AADORA2AADORA2B
SCHEMBL1944313 0.89 ADORA3 (0.46) ADORA3HPGDPDE5AHTTMEN1
SCHEMBL2533812 0.86 ADORA2A (0.35) ADORA3HPGDPDE5AADORA2AADORA2B
SCHEMBL1947385 0.85 MAPT (0.43) HPGDHTT
SCHEMBL1945740 0.84 MAOB (0.44) PDE5AADORA2AADORA2B
SCHEMBL1946588 0.83 ADORA2B (0.53) ADORA2AADORA2B
SCHEMBL1946574 0.82 ADORA2B (0.45) ADORA3HPGDADORA2AADORA2BMEN1
SCHEMBL1946871 0.78 HPGD (0.51) ADORA3HPGDPDE5AADORA2AADORA2B
SCHEMBL1946828 0.77 ADORA2B (0.51) ADORA2AADORA2BMEN1KMT2A
SCHEMBL1946577 0.76 PIK3CD (0.35) ADORA2AADORA2B

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 26 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
WO-2009157938-A1 A2B ADENOSINE RECEPTOR ANTAGONISTS FOR TREATING CANCER CV THERAPEUTICS, INC. (US) 2009-12-30 — — WO 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-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
WO-2004106337-A1 XANTHINE DERIVATIVES AS A2B ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS, INC. (US) 2004-12-09 — — WO 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 (11 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 5/4885HPGD 489/4885PDE5A 250/4885
US-20110257127-A1 A2B ADENOSINE RECEPTOR ANTAGONISTS ADORA2B, ADORA2A, ADORA1 ADORA3 4/4885HPGD 718/4885PDE5A 387/4885
US-20050038045-A1 A2B adenosine receptor antagonists ADORA2B, ADORA2A, ADORA1 ADORA3 4/4885HPGD 718/4885PDE5A 387/4885
US-20050101778-A1 A2B adenosine receptor antagonists ADORA2B, ADORA2A, ADORA1 ADORA3 5/4885HPGD 645/4885PDE5A 215/4885
US-20100222300-A1 A2B Adenosine Receptor Antagonists ADORA2B, ADORA2A, ADORA1 ADORA3 4/4885HPGD 718/4885PDE5A 387/4885
US-20030139428-A1 A2B adenosine receptor antagonists ADORA2B, ADORA2A, ADORA1 ADORA3 4/4885HPGD 899/4885PDE5A 309/4885
US-20030229106-A1 A2B adenosine receptor antagonists ADORA2B, ADORA2A, ADORA1 ADORA3 4/4885HPGD 899/4885PDE5A 309/4885
US-20080318983-A1 A2B ADENOSINE RECEPTOR ANTAGONISTS ADORA2B, ADORA2A, ADORA1 ADORA3 5/4885HPGD 489/4885PDE5A 250/4885
US-20050261316-A1 A2B Adenosine receptor antagonists ADORA2B, ADORA2A, ADORA1 ADORA3 4/4885HPGD 718/4885PDE5A 387/4885
US-20130123280-A1 A2B ADENOSINE RECEPTOR ANTAGONISTS ADORA2B, ADORA2A, ADORA1 ADORA3 4/4885HPGD 718/4885PDE5A 387/4885
US-20110130362-A1 A2B ADENOSINE RECEPTOR ANTAGONISTS ADORA2B, ADORA2A, ADORA1 ADORA3 4/4885HPGD 718/4885PDE5A 387/4885

“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.