SCHEMBL1945849

SCHEMBL1945849

COCCn1c(=O)[nH]c(N)c(N=O)c1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.40
GAA P10253 7/20 0.40
HSD17B10 Q99714 6/20 0.40
KDM4E B2RXH2 6/20 0.40
GLA P06280 5/20 0.40
KMT2A Q03164 5/20 0.40
HPGD P15428 4/20 0.40
PKM P14618 3/20 0.40
MEN1 O00255 2/20 0.40
HTT P42858 1/20 0.40
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
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
MAPT P10636 1/20 0.34
RXFP1 Q9HBX9 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
SCHEMBL1546666 0.83 MAPT (0.45) ALDH1A1GAAHSD17B10KDM4EGLA
SCHEMBL1947210 0.81 ALDH1A1 (0.44) ALDH1A1GAAHSD17B10KDM4EGLA
SCHEMBL1945724 0.80 ATM (0.48) ALDH1A1GAAKDM4EGLAKMT2A
SCHEMBL1944878 0.79 MAPT (0.42) ALDH1A1GAAKDM4EGLAKMT2A
SCHEMBL1946776 0.79 MAPT (0.43) ALDH1A1GAAHSD17B10KDM4EKMT2A
SCHEMBL1945858 0.79 MEN1 (0.51) ALDH1A1GAAKDM4EGLAKMT2A
SCHEMBL1944001 0.76 ADORA3 (0.31) ALDH1A1KMT2AHPGDPKMMEN1
SCHEMBL1946628 0.74 KMT2A (0.54) ALDH1A1KDM4EKMT2AMEN1SMN1; SMN2
SCHEMBL1943263 0.73 ALDH1A1 (0.35) ALDH1A1GAAKDM4EGLAKMT2A
SCHEMBL1946777 0.73 ALDH1A1 (0.50) ALDH1A1KDM4EKMT2AMEN1SMN1; SMN2

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 ALDH1A1 875/4885GAA 1762/4885HSD17B10 2292/4885
US-20050038045-A1 A2B adenosine receptor antagonists ADORA2B, ADORA2A, ADORA1 ALDH1A1 875/4885GAA 1762/4885HSD17B10 2292/4885
US-20050101778-A1 A2B adenosine receptor antagonists ADORA2B, ADORA2A, ADORA1 ALDH1A1 505/4885GAA 2205/4885HSD17B10 2671/4885
US-20100222300-A1 A2B Adenosine Receptor Antagonists ADORA2B, ADORA2A, ADORA1 ALDH1A1 875/4885GAA 1762/4885HSD17B10 2292/4885
US-20030139428-A1 A2B adenosine receptor antagonists ADORA2B, ADORA2A, ADORA1 ALDH1A1 691/4885GAA 1870/4885HSD17B10 2092/4885
US-20030229106-A1 A2B adenosine receptor antagonists ADORA2B, ADORA2A, ADORA1 ALDH1A1 691/4885GAA 1870/4885HSD17B10 2092/4885
US-20050261316-A1 A2B Adenosine receptor antagonists ADORA2B, ADORA2A, ADORA1 ALDH1A1 875/4885GAA 1762/4885HSD17B10 2292/4885
US-20130123280-A1 A2B ADENOSINE RECEPTOR ANTAGONISTS ADORA2B, ADORA2A, ADORA1 ALDH1A1 875/4885GAA 1762/4885HSD17B10 2292/4885
US-20110130362-A1 A2B ADENOSINE RECEPTOR ANTAGONISTS ADORA2B, ADORA2A, ADORA1 ALDH1A1 875/4885GAA 1762/4885HSD17B10 2292/4885

“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.