SCHEMBL1945291

SCHEMBL1945291

Nc1[nH]c(=O)n(Cc2cccnc2)c(=O)c1N

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 4/20 0.51
MAPK10 P53779 1/20 0.51
TLR7 Q9NYK1 3/20 0.49
GABRA5 P31644 3/20 0.47
GABRA1 P14867 2/20 0.47
LMNA P02545 1/20 0.47
KMT2A Q03164 2/20 0.46
OPRM1 P35372 1/20 0.46
OPRD1 P41143 1/20 0.46
MEN1 O00255 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
ALOX5 P09917 1/20 0.46
GRIN1 Q05586 5/20 0.46
GRIN2B Q13224 5/20 0.46
ALDH1A1 P00352 1/20 0.46
CNOT7 Q9UIV1 1/20 0.45

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
SCHEMBL1946195 0.84 PKM (0.47) PKMMAPK10TLR7GABRA5GABRA1
SCHEMBL1945517 0.82 ALDH1A1 (0.57) TLR7LMNAKMT2AMEN1CYP3A4
SCHEMBL1944329 0.80 TLR7 (0.49) PKMMAPK10TLR7GABRA5GABRA1
SCHEMBL1944502 0.78 ALDH1A1 (0.70) PKMMAPK10TLR7KMT2AOPRM1
SCHEMBL1944562 0.77 GRIN1 (0.49) PKMMAPK10TLR7GABRA5GABRA1
SCHEMBL6980977 0.76 PKM (0.79) PKMMAPK10KMT2AOPRM1OPRD1
SCHEMBL28985259 0.75 PKM (0.49) PKMMAPK10TLR7GABRA5GABRA1
SCHEMBL2454739 0.74 PKM (0.57) PKMMAPK10TLR7GABRA5GABRA1
SCHEMBL1944171 0.74 ALDH1A1 (0.42) KMT2AALDH1A1
SCHEMBL2561798 0.73 HPGD (0.49) PKMMAPK10TLR7GABRA5GABRA1

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 27 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-7105665-B2 A2B adenosine receptor antagonists CV THERAPEUTICS, INC. (US) 2006-09-12 US disclosed
EP-1622908-A1 XANTHINE DERIVATIVES AS A2B ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS, INC. (US) 2006-02-08 EP 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-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 (8 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 PKM 4312/4885MAPK10 4039/4885TLR7 1542/4885
US-20050038045-A1 A2B adenosine receptor antagonists ADORA2B, ADORA2A, ADORA1 PKM 4312/4885MAPK10 4039/4885TLR7 1542/4885
US-20050101778-A1 A2B adenosine receptor antagonists ADORA2B, ADORA2A, ADORA1 PKM 3584/4885MAPK10 3550/4885TLR7 1430/4885
US-20100222300-A1 A2B Adenosine Receptor Antagonists ADORA2B, ADORA2A, ADORA1 PKM 4312/4885MAPK10 4039/4885TLR7 1542/4885
US-20030139428-A1 A2B adenosine receptor antagonists ADORA2B, ADORA2A, ADORA1 PKM 4408/4885MAPK10 3942/4885TLR7 1381/4885
US-20050261316-A1 A2B Adenosine receptor antagonists ADORA2B, ADORA2A, ADORA1 PKM 4312/4885MAPK10 4039/4885TLR7 1542/4885
US-20130123280-A1 A2B ADENOSINE RECEPTOR ANTAGONISTS ADORA2B, ADORA2A, ADORA1 PKM 4312/4885MAPK10 4039/4885TLR7 1542/4885
US-20110130362-A1 A2B ADENOSINE RECEPTOR ANTAGONISTS ADORA2B, ADORA2A, ADORA1 PKM 4312/4885MAPK10 4039/4885TLR7 1542/4885

“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.