SCHEMBL1944329

SCHEMBL1944329

Nc1c(N)n(Cc2cccnc2)c(=O)[nH]c1=O

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 3/20 0.49
PKM P14618 4/20 0.48
MAPK10 P53779 1/20 0.48
ALDH1A1 P00352 4/20 0.47
HPGD P15428 4/20 0.47
KMT2A Q03164 3/20 0.47
KDM4E B2RXH2 2/20 0.47
MEN1 O00255 2/20 0.47
MAPT P10636 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
GRIN1 Q05586 5/20 0.46
GRIN2B Q13224 5/20 0.46
POLB P06746 1/20 0.45
MAPK1 P28482 1/20 0.45
GABRA1 P14867 1/20 0.44
GABRA5 P31644 1/20 0.44
LMNA P02545 1/20 0.44
OPRM1 P35372 1/20 0.44
OPRD1 P41143 1/20 0.44

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
SCHEMBL2454739 0.88 PKM (0.57) TLR7PKMMAPK10ALDH1A1HPGD
SCHEMBL1944136 0.84 HPGD (0.47) TLR7PKMMAPK10ALDH1A1HPGD
SCHEMBL2561798 0.84 HPGD (0.49) TLR7PKMMAPK10ALDH1A1HPGD
SCHEMBL1945491 0.82 KDM4E (0.66) ALDH1A1HPGDKMT2AKDM4EMEN1
SCHEMBL1945291 0.80 PKM (0.51) TLR7PKMMAPK10ALDH1A1KMT2A
SCHEMBL1944502 0.78 ALDH1A1 (0.70) TLR7PKMMAPK10ALDH1A1HPGD
SCHEMBL1944562 0.77 GRIN1 (0.49) TLR7PKMMAPK10ALDH1A1HPGD
SCHEMBL5827636 0.74 TLR7 (0.49) TLR7PKMALDH1A1HPGDKMT2A
SCHEMBL1945399 0.74 GAA (0.42) ALDH1A1KMT2AKDM4ELMNA
SCHEMBL1946195 0.73 PKM (0.47) TLR7PKMMAPK10ALDH1A1HPGD

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 TLR7 1319/4885PKM 3647/4885MAPK10 4113/4885
US-20110257127-A1 A2B ADENOSINE RECEPTOR ANTAGONISTS ADORA2B, ADORA2A, ADORA1 TLR7 1542/4885PKM 4312/4885MAPK10 4039/4885
US-20050038045-A1 A2B adenosine receptor antagonists ADORA2B, ADORA2A, ADORA1 TLR7 1542/4885PKM 4312/4885MAPK10 4039/4885
US-20050101778-A1 A2B adenosine receptor antagonists ADORA2B, ADORA2A, ADORA1 TLR7 1430/4885PKM 3584/4885MAPK10 3550/4885
US-20100222300-A1 A2B Adenosine Receptor Antagonists ADORA2B, ADORA2A, ADORA1 TLR7 1542/4885PKM 4312/4885MAPK10 4039/4885
US-20030139428-A1 A2B adenosine receptor antagonists ADORA2B, ADORA2A, ADORA1 TLR7 1381/4885PKM 4408/4885MAPK10 3942/4885
US-20030229106-A1 A2B adenosine receptor antagonists ADORA2B, ADORA2A, ADORA1 TLR7 1381/4885PKM 4408/4885MAPK10 3942/4885
US-20080318983-A1 A2B ADENOSINE RECEPTOR ANTAGONISTS ADORA2B, ADORA2A, ADORA1 TLR7 1319/4885PKM 3647/4885MAPK10 4113/4885
US-20050261316-A1 A2B Adenosine receptor antagonists ADORA2B, ADORA2A, ADORA1 TLR7 1542/4885PKM 4312/4885MAPK10 4039/4885
US-20130123280-A1 A2B ADENOSINE RECEPTOR ANTAGONISTS ADORA2B, ADORA2A, ADORA1 TLR7 1542/4885PKM 4312/4885MAPK10 4039/4885
US-20110130362-A1 A2B ADENOSINE RECEPTOR ANTAGONISTS ADORA2B, ADORA2A, ADORA1 TLR7 1542/4885PKM 4312/4885MAPK10 4039/4885

“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.