SCHEMBL1944801

SCHEMBL1944801

CCC(C)n1c(=O)cc(N)n(C)c1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.46
▸ HPGD P15428 1/20 0.43
▸ GAA P10253 1/20 0.38
▸ CYP3A4 P08684 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ PLA2G7 Q13093 1/20 0.33
▸ PKM P14618 1/20 0.32
▸ SIRT5 Q9NXA8 1/20 0.32
▸ ADORA2B P29275 2/20 0.31
▸ ADORA3 P0DMS8 1/20 0.31
▸ ADORA2A P29274 1/20 0.31
▸ ADORA1 P30542 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ S100B P04271 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ HTT P42858 1/20 0.31

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
SCHEMBL1946448 0.81 ALDH1A1 (0.45) ALDH1A1HPGDGAACYP3A4SMN1; SMN2
SCHEMBL11606618 0.77 ALDH1A1 (0.55) ALDH1A1HPGDGAACYP3A4SMN1; SMN2
SCHEMBL5411006 0.71 ALDH1A1 (0.56) ALDH1A1HPGDCYP3A4PLA2G7ADORA2B
SCHEMBL1944109 0.71 HPGD (0.60) ALDH1A1HPGDGAACYP3A4ADORA2B
SCHEMBL1946867 0.70 LMNA (0.47) ALDH1A1HPGDSMN1; SMN2NPSR1HSD17B10
SCHEMBL1545990 0.70 ALDH1A1 (0.75) ALDH1A1HPGDCYP3A4SMN1; SMN2ADORA1
SCHEMBL1546589 0.69 HPGD (0.58) ALDH1A1HPGDCYP3A4ADORA2BADORA2A
SCHEMBL9525667 0.69 ALDH1A1 (0.33) ALDH1A1SMN1; SMN2
SCHEMBL1027780 0.69 ALDH1A1 (0.50) ALDH1A1HPGDCYP3A4SMN1; SMN2L3MBTL1
SCHEMBL28143898 0.69 ALDH1A1 (0.53) ALDH1A1HPGDCYP3A4PLA2G7POLB

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
EP-1444233-B1 A2B ADENOSINE RECEPTOR ANTAGONISTS GILEAD PALO ALTO INC (US) 2011-08-17 — — EP 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-2009088518-A1 A2B ADENOSINE RECEPTOR ANTAGONISTS FOR THE TREATMENT OF CANCER CV THERAPEUTICS, INC. (US) 2009-07-16 — — WO disclosed
US-20080318983-A1 A2B ADENOSINE RECEPTOR ANTAGONISTS GILEAD SCIENCES, INC. 2008-12-25 — — 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 (10 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-20110257127-A1 A2B ADENOSINE RECEPTOR ANTAGONISTS ADORA2B, ADORA2A, ADORA1 ALDH1A1 875/4885HPGD 718/4885GAA 1762/4885
US-20050038045-A1 A2B adenosine receptor antagonists ADORA2B, ADORA2A, ADORA1 ALDH1A1 875/4885HPGD 718/4885GAA 1762/4885
US-20050101778-A1 A2B adenosine receptor antagonists ADORA2B, ADORA2A, ADORA1 ALDH1A1 505/4885HPGD 645/4885GAA 2205/4885
US-20100222300-A1 A2B Adenosine Receptor Antagonists ADORA2B, ADORA2A, ADORA1 ALDH1A1 875/4885HPGD 718/4885GAA 1762/4885
US-20030139428-A1 A2B adenosine receptor antagonists ADORA2B, ADORA2A, ADORA1 ALDH1A1 691/4885HPGD 899/4885GAA 1870/4885
US-20030229106-A1 A2B adenosine receptor antagonists ADORA2B, ADORA2A, ADORA1 ALDH1A1 691/4885HPGD 899/4885GAA 1870/4885
US-20080318983-A1 A2B ADENOSINE RECEPTOR ANTAGONISTS ADORA2B, ADORA2A, ADORA1 ALDH1A1 443/4885HPGD 489/4885GAA 1791/4885
US-20050261316-A1 A2B Adenosine receptor antagonists ADORA2B, ADORA2A, ADORA1 ALDH1A1 875/4885HPGD 718/4885GAA 1762/4885
US-20130123280-A1 A2B ADENOSINE RECEPTOR ANTAGONISTS ADORA2B, ADORA2A, ADORA1 ALDH1A1 875/4885HPGD 718/4885GAA 1762/4885
US-20110130362-A1 A2B ADENOSINE RECEPTOR ANTAGONISTS ADORA2B, ADORA2A, ADORA1 ALDH1A1 875/4885HPGD 718/4885GAA 1762/4885

“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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