SCHEMBL1944014

SCHEMBL1944014

Nc1cc(=O)[nH]c(=O)n1CCCO

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
ALDH1A1 P00352 3/20 0.53
CYP3A4 P08684 2/20 0.53
HPGD P15428 2/20 0.53
MEN1 O00255 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
TSHR P16473 1/20 0.47
UNG P13051 3/20 0.44
MTNR1A P48039 2/20 0.43
MTNR1B P49286 2/20 0.43
KDM4E B2RXH2 1/20 0.38
MAPT P10636 2/20 0.36
PDE4A P27815 1/20 0.35
ADORA2A P29274 1/20 0.35
ADORA2B P29275 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL3193701 0.89 KMT2A (0.61) KMT2AL3MBTL1ALDH1A1CYP3A4HPGD
SCHEMBL1945172 0.83 KMT2A (0.58) KMT2AL3MBTL1ALDH1A1CYP3A4HPGD
SCHEMBL1713239 0.81 KMT2A (0.56) KMT2AL3MBTL1ALDH1A1CYP3A4HPGD
SCHEMBL1947366 0.81 KMT2A (0.56) KMT2AL3MBTL1ALDH1A1CYP3A4HPGD
SCHEMBL7179000 0.80 KMT2A (0.55) KMT2AL3MBTL1ALDH1A1CYP3A4HPGD
SCHEMBL1319862 0.80 KMT2A (0.55) KMT2AL3MBTL1ALDH1A1CYP3A4HPGD
SCHEMBL4809763 0.80 KMT2A (0.55) KMT2AL3MBTL1ALDH1A1CYP3A4HPGD
SCHEMBL7960859 0.79 KMT2A (0.54) KMT2AL3MBTL1ALDH1A1CYP3A4HPGD
SCHEMBL1946240 0.79 KMT2A (0.61) KMT2AL3MBTL1ALDH1A1CYP3A4HPGD
SCHEMBL1946973 0.76 ALDH1A1 (0.45) KMT2AALDH1A1HPGDMEN1TSHR

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 3692/4885ALDH1A1 443/4885
US-20110257127-A1 A2B ADENOSINE RECEPTOR ANTAGONISTS ADORA2B, ADORA2A, ADORA1 KMT2A 2668/4885L3MBTL1 2456/4885ALDH1A1 875/4885
US-20050038045-A1 A2B adenosine receptor antagonists ADORA2B, ADORA2A, ADORA1 KMT2A 2668/4885L3MBTL1 2456/4885ALDH1A1 875/4885
US-20050101778-A1 A2B adenosine receptor antagonists ADORA2B, ADORA2A, ADORA1 KMT2A 2260/4885L3MBTL1 3836/4885ALDH1A1 505/4885
US-20100222300-A1 A2B Adenosine Receptor Antagonists ADORA2B, ADORA2A, ADORA1 KMT2A 2668/4885L3MBTL1 2456/4885ALDH1A1 875/4885
US-20030139428-A1 A2B adenosine receptor antagonists ADORA2B, ADORA2A, ADORA1 KMT2A 2479/4885L3MBTL1 2716/4885ALDH1A1 691/4885
US-20030229106-A1 A2B adenosine receptor antagonists ADORA2B, ADORA2A, ADORA1 KMT2A 2479/4885L3MBTL1 2716/4885ALDH1A1 691/4885
US-20080318983-A1 A2B ADENOSINE RECEPTOR ANTAGONISTS ADORA2B, ADORA2A, ADORA1 KMT2A 2344/4885L3MBTL1 3692/4885ALDH1A1 443/4885
US-20050261316-A1 A2B Adenosine receptor antagonists ADORA2B, ADORA2A, ADORA1 KMT2A 2668/4885L3MBTL1 2456/4885ALDH1A1 875/4885
US-20130123280-A1 A2B ADENOSINE RECEPTOR ANTAGONISTS ADORA2B, ADORA2A, ADORA1 KMT2A 2668/4885L3MBTL1 2456/4885ALDH1A1 875/4885
US-20110130362-A1 A2B ADENOSINE RECEPTOR ANTAGONISTS ADORA2B, ADORA2A, ADORA1 KMT2A 2668/4885L3MBTL1 2456/4885ALDH1A1 875/4885

“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.