SCHEMBL1945706

SCHEMBL1945706

Nc1[nH]c(=O)n(CCc2ccccc2)c(=O)c1N

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
ADORA2B P29275 3/20 0.52
ADORA3 P0DMS8 2/20 0.52
MTNR1A P48039 1/20 0.51
MTNR1B P49286 1/20 0.51
MEN1 O00255 3/20 0.50
KDM4E B2RXH2 2/20 0.50
RGS12 O14924 2/20 0.50
USP2 O75604 2/20 0.50
MAPT P10636 2/20 0.50
MCOLN3 Q8TDD5 1/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
DAO P14920 2/20 0.46
ALDH1A1 P00352 3/20 0.43
LMNA P02545 2/20 0.43
CYP3A4 P08684 1/20 0.43
HPGD P15428 1/20 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
SCHEMBL1945517 0.83 ALDH1A1 (0.57) KMT2AMEN1KDM4ERGS12USP2
SCHEMBL1946628 0.82 KMT2A (0.54) KMT2AL3MBTL1ADORA2BADORA3MTNR1A
SCHEMBL1947719 0.77 KMT2A (0.59) KMT2AL3MBTL1ADORA2BADORA3MTNR1A
SCHEMBL28562224 0.75 KMT2A (0.60) KMT2AL3MBTL1ADORA2BADORA3MTNR1A
SCHEMBL1943256 0.74 KMT2A (0.63) KMT2AL3MBTL1ADORA2BADORA3MTNR1A
SCHEMBL1948012 0.74 KMT2A (1.00) KMT2AL3MBTL1ADORA2BADORA3MTNR1A
SCHEMBL6976707 0.74 SMN1; SMN2 (0.76) KMT2AADORA2BADORA3MEN1KDM4E
SCHEMBL797375 0.74 MAPT (0.50) KMT2AADORA2BADORA3MEN1KDM4E
SCHEMBL28961750 0.72 ADORA2B (0.57) KMT2AL3MBTL1ADORA2BADORA3MTNR1A
SCHEMBL1946405 0.71 ALDH1A1 (0.50) KMT2AADORA2BADORA3MEN1KDM4E

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 29 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-2009157938-A1 A2B ADENOSINE RECEPTOR ANTAGONISTS FOR TREATING CANCER CV THERAPEUTICS, INC. (US) 2009-12-30 WO disclosed
WO-2009088518-A1 A2B ADENOSINE RECEPTOR ANTAGONISTS FOR THE TREATMENT OF CANCER CV THERAPEUTICS, INC. (US) 2009-07-16 WO 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 (9 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 KMT2A 2668/4885L3MBTL1 2456/4885ADORA2B 1/4885
US-20050038045-A1 A2B adenosine receptor antagonists ADORA2B, ADORA2A, ADORA1 KMT2A 2668/4885L3MBTL1 2456/4885ADORA2B 1/4885
US-20050101778-A1 A2B adenosine receptor antagonists ADORA2B, ADORA2A, ADORA1 KMT2A 2260/4885L3MBTL1 3836/4885ADORA2B 1/4885
US-20100222300-A1 A2B Adenosine Receptor Antagonists ADORA2B, ADORA2A, ADORA1 KMT2A 2668/4885L3MBTL1 2456/4885ADORA2B 1/4885
US-20030139428-A1 A2B adenosine receptor antagonists ADORA2B, ADORA2A, ADORA1 KMT2A 2479/4885L3MBTL1 2716/4885ADORA2B 1/4885
US-20030229106-A1 A2B adenosine receptor antagonists ADORA2B, ADORA2A, ADORA1 KMT2A 2479/4885L3MBTL1 2716/4885ADORA2B 1/4885
US-20050261316-A1 A2B Adenosine receptor antagonists ADORA2B, ADORA2A, ADORA1 KMT2A 2668/4885L3MBTL1 2456/4885ADORA2B 1/4885
US-20130123280-A1 A2B ADENOSINE RECEPTOR ANTAGONISTS ADORA2B, ADORA2A, ADORA1 KMT2A 2668/4885L3MBTL1 2456/4885ADORA2B 1/4885
US-20110130362-A1 A2B ADENOSINE RECEPTOR ANTAGONISTS ADORA2B, ADORA2A, ADORA1 KMT2A 2668/4885L3MBTL1 2456/4885ADORA2B 1/4885

“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.