SCHEMBL1948012

SCHEMBL1948012

Nc1cc(=O)[nH]c(=O)n1CCc1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 1.00
L3MBTL1 Q9Y468 1/20 1.00
MTNR1A P48039 2/20 0.76
MTNR1B P49286 2/20 0.76
CYP3A4 P08684 3/20 0.71
ALDH1A1 P00352 2/20 0.71
HPGD P15428 2/20 0.71
TSHR P16473 1/20 0.51
MEN1 O00255 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
BACE1 P56817 1/20 0.48
KDM4E B2RXH2 2/20 0.47
RGS12 O14924 2/20 0.47
USP2 O75604 2/20 0.47
MAPT P10636 2/20 0.47
GAA P10253 1/20 0.47
MAPK1 P28482 1/20 0.47
DAO P14920 1/20 0.46
ADORA2B P29275 3/20 0.46
ADORA3 P0DMS8 2/20 0.46

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
SCHEMBL1959337 0.86 MTNR1A (1.00) KMT2AL3MBTL1MTNR1AMTNR1BCYP3A4
SCHEMBL8578072 0.86 KMT2A (0.76) KMT2AL3MBTL1MTNR1AMTNR1BCYP3A4
SCHEMBL8579628 0.86 KMT2A (0.76) KMT2AL3MBTL1MTNR1AMTNR1BCYP3A4
SCHEMBL1032784 0.83 HPGD (1.00) KMT2AL3MBTL1MTNR1AMTNR1BCYP3A4
SCHEMBL8581842 0.83 KMT2A (0.70) KMT2AL3MBTL1MTNR1AMTNR1BCYP3A4
SCHEMBL1943256 0.77 KMT2A (0.63) KMT2AL3MBTL1MTNR1AMTNR1BCYP3A4
SCHEMBL3193701 0.76 KMT2A (0.61) KMT2AL3MBTL1MTNR1AMTNR1BCYP3A4
SCHEMBL1946240 0.76 KMT2A (0.61) KMT2AL3MBTL1MTNR1AMTNR1BCYP3A4
SCHEMBL28562224 0.75 KMT2A (0.60) KMT2AL3MBTL1MTNR1AMTNR1BALDH1A1
SCHEMBL6449965 0.75 KMT2A (0.60) KMT2AL3MBTL1MTNR1AMTNR1BCYP3A4

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
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
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-7317017-B2 A2B adenosine receptor antagonists CV THERAPEUTICS, INC. (US) 2008-01-08 US disclosed
US-7304070-B2 A2B adenosine receptor antagonists CV THERAPEUTICS, INC. (US) 2007-12-04 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
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

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 KMT2A 2344/4885L3MBTL1 3692/4885MTNR1A 94/4885
US-20110257127-A1 A2B ADENOSINE RECEPTOR ANTAGONISTS ADORA2B, ADORA2A, ADORA1 KMT2A 2668/4885L3MBTL1 2456/4885MTNR1A 119/4885
US-20050038045-A1 A2B adenosine receptor antagonists ADORA2B, ADORA2A, ADORA1 KMT2A 2668/4885L3MBTL1 2456/4885MTNR1A 119/4885
US-20050101778-A1 A2B adenosine receptor antagonists ADORA2B, ADORA2A, ADORA1 KMT2A 2260/4885L3MBTL1 3836/4885MTNR1A 111/4885
US-20100222300-A1 A2B Adenosine Receptor Antagonists ADORA2B, ADORA2A, ADORA1 KMT2A 2668/4885L3MBTL1 2456/4885MTNR1A 119/4885
US-20030139428-A1 A2B adenosine receptor antagonists ADORA2B, ADORA2A, ADORA1 KMT2A 2479/4885L3MBTL1 2716/4885MTNR1A 107/4885
US-20030229106-A1 A2B adenosine receptor antagonists ADORA2B, ADORA2A, ADORA1 KMT2A 2479/4885L3MBTL1 2716/4885MTNR1A 107/4885
US-20080318983-A1 A2B ADENOSINE RECEPTOR ANTAGONISTS ADORA2B, ADORA2A, ADORA1 KMT2A 2344/4885L3MBTL1 3692/4885MTNR1A 94/4885
US-20050261316-A1 A2B Adenosine receptor antagonists ADORA2B, ADORA2A, ADORA1 KMT2A 2668/4885L3MBTL1 2456/4885MTNR1A 119/4885
US-20130123280-A1 A2B ADENOSINE RECEPTOR ANTAGONISTS ADORA2B, ADORA2A, ADORA1 KMT2A 2668/4885L3MBTL1 2456/4885MTNR1A 119/4885
US-20110130362-A1 A2B ADENOSINE RECEPTOR ANTAGONISTS ADORA2B, ADORA2A, ADORA1 KMT2A 2668/4885L3MBTL1 2456/4885MTNR1A 119/4885

“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.