SCHEMBL2333242

SCHEMBL2333242

COc1ccc(-c2n[c]no2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 0.47
RAB9A P51151 9/20 0.47
KMT2A Q03164 2/20 0.47
SMN1; SMN2 Q16637 5/20 0.46
MAPT P10636 4/20 0.46
NR1H4 Q96RI1 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
S1PR1 P21453 1/20 0.46
KDM4E B2RXH2 4/20 0.46
ALDH1A1 P00352 3/20 0.46
HPGD P15428 2/20 0.46
HSD17B10 Q99714 2/20 0.46
NFKB1 P19838 2/20 0.46
NFKB2 Q00653 2/20 0.46
RELA Q04206 2/20 0.46
TP53 P04637 1/20 0.46
USP2 O75604 1/20 0.45
NOTUM Q6P988 1/20 0.44
GSK3B P49841 1/20 0.41
PTGS2 P35354 1/20 0.41

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
SCHEMBL1546514 0.80 NPC1 (0.54) NPC1RAB9AKMT2ASMN1; SMN2MAPT
SCHEMBL5552360 0.79 NPC1 (0.42) NPC1RAB9AKMT2ASMN1; SMN2MAPT
SCHEMBL1546047 0.75 NPC1 (0.48) NPC1RAB9ASMN1; SMN2KDM4EHSD17B10
SCHEMBL6135425 0.74 RAB9A (0.46) NPC1RAB9ASMN1; SMN2MAPTNR1H4
SCHEMBL795461 0.74 NPC1 (0.44) NPC1RAB9AKMT2ASMN1; SMN2MAPT
SCHEMBL3475309 0.72 TP53 (0.46) NPC1RAB9AKMT2ASMN1; SMN2MAPT
SCHEMBL3965118 0.70 LMNA (0.44) NPC1RAB9AKMT2ASMN1; SMN2NPSR1
SCHEMBL13004548 0.70 NPC1 (0.85) NPC1RAB9AKMT2ASMN1; SMN2MAPT
SCHEMBL9879185 0.69 NPC1 (0.54) NPC1RAB9AKMT2ASMN1; SMN2MAPT
SCHEMBL20420869 0.68 CLK4 (0.55) NPC1RAB9AKMT2ASMN1; SMN2MAPT

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7304070-B2 A2B adenosine receptor antagonists CV THERAPEUTICS, INC. (US) 2007-12-04 US claimed
US-20050101778-A1 A2B adenosine receptor antagonists GILEAD SCIENCES, INC. 2005-05-12 US claimed
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-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-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 (10 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 NPC1 2532/4885RAB9A 1619/4885KMT2A 2344/4885
US-20110257127-A1 A2B ADENOSINE RECEPTOR ANTAGONISTS ADORA2B, ADORA2A, ADORA1 NPC1 2104/4885RAB9A 1841/4885KMT2A 2668/4885
US-20050038045-A1 A2B adenosine receptor antagonists ADORA2B, ADORA2A, ADORA1 NPC1 2104/4885RAB9A 1841/4885KMT2A 2668/4885
US-20050101778-A1 A2B adenosine receptor antagonists ADORA2B, ADORA2A, ADORA1 NPC1 2702/4885RAB9A 1704/4885KMT2A 2260/4885
US-20100222300-A1 A2B Adenosine Receptor Antagonists ADORA2B, ADORA2A, ADORA1 NPC1 2104/4885RAB9A 1841/4885KMT2A 2668/4885
US-20030139428-A1 A2B adenosine receptor antagonists ADORA2B, ADORA2A, ADORA1 NPC1 2057/4885RAB9A 1699/4885KMT2A 2479/4885
US-20030229106-A1 A2B adenosine receptor antagonists ADORA2B, ADORA2A, ADORA1 NPC1 2057/4885RAB9A 1699/4885KMT2A 2479/4885
US-20080318983-A1 A2B ADENOSINE RECEPTOR ANTAGONISTS ADORA2B, ADORA2A, ADORA1 NPC1 2532/4885RAB9A 1619/4885KMT2A 2344/4885
US-20050261316-A1 A2B Adenosine receptor antagonists ADORA2B, ADORA2A, ADORA1 NPC1 2104/4885RAB9A 1841/4885KMT2A 2668/4885
US-20130123280-A1 A2B ADENOSINE RECEPTOR ANTAGONISTS ADORA2B, ADORA2A, ADORA1 NPC1 2104/4885RAB9A 1841/4885KMT2A 2668/4885

“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.