SCHEMBL2217065

SCHEMBL2217065

NC(=O)c1cnc(Cc2ccccc2)cn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G10 O15496 1/20 0.49
PLA2G2A P14555 1/20 0.49
BRD4 O60885 3/20 0.47
SIRT6 Q8N6T7 2/20 0.46
FYN P06241 1/20 0.45
GRK5 P34947 1/20 0.45
P4HTM Q9NXG6 2/20 0.44
VNN1 O95497 1/20 0.42
HCAR2 Q8TDS4 1/20 0.41
OPRM1 P35372 1/20 0.41
OPRD1 P41143 1/20 0.41
OPRK1 P41145 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ASPH Q12797 1/20 0.40
RIOX2 Q8IUF8 1/20 0.40
KDM8 Q8N371 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL2219484 0.91 P4HTM (0.49) BRD4P4HTMHCAR2KDM4EASPH
SCHEMBL12442596 0.85 LMNA (0.47) BRD4FYNP4HTMALDH1A1
SCHEMBL27072915 0.81 CALM1 (0.55) FYNALDH1A1
SCHEMBL5134062 0.81 OPRM1 (0.52) SIRT6VNN1OPRM1OPRD1OPRK1
SCHEMBL5037300 0.79 PLA2G10 (0.58) PLA2G10PLA2G2AP4HTMVNN1OPRM1
SCHEMBL17664418 0.78 PLA2G10 (0.61) PLA2G10PLA2G2ABRD4FYNGRK5
SCHEMBL5041224 0.78 HCAR3 (0.48) SIRT6P4HTMVNN1OPRM1OPRD1
SCHEMBL27703286 0.77 BCAT2 (0.49) PLA2G10PLA2G2ABRD4FYNGRK5
SCHEMBL5132655 0.75 RPS6KB1 (0.46) SIRT6OPRM1OPRD1OPRK1KDM4E
SCHEMBL6469219 0.74 HDAC3 (0.64) VNN1HCAR2OPRM1OPRD1OPRK1

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070079392-A1 Human G protein-coupled receptors and modulators thereof for the treatment of metabolic-related disorders ARENA PHARMACEUTICALS, INC. (US) 2007-04-05 US claimed
US-20050004178-A1 Human G protein-coupled receptors and modulators thereof for the treatment of metabolic-related disorders ARENA PHARMACEUTICALS, INC. (US) 2005-01-06 US claimed
US-20040142377-A1 Human G protein-coupled receptors and modulators thereof for the treatment of metabolic-related disorders ARENA PHARMACEUTICALS, INC. (US) 2004-07-22 US claimed
US-20110177612-A1 Human G Protein-Coupled Receptors and Modulators Thereof for the Treatment of Metabolic-Related Disorders ARENA PHARMACEUTICALS, INC. 2011-07-21 US disclosed
US-7829298-B2 Human G protein-coupled receptors for metabolic-related disorders ARENA PHARMACEUTICALS, INC. (US) 2010-11-09 US disclosed
US-20080139628-A1 Compositions For Treating Flushing And Lipid-Associated Disorders Comprising Niacin Receptor Partial Agonists ARENA PHARMACEUTICALS, INC. (US) 2008-06-12 US disclosed
EP-1811996-A1 COMPOSITIONS FOR TREATING FLUSHING AND LIPID-ASSOCIATED DISORDERS COMPRISING NIACIN RECEPTOR PARTIAL AGONISTS Arena Pharmaceuticals, Inc. (US) 2007-08-01 EP disclosed
US-20070079392-A1 Human G protein-coupled receptors and modulators thereof for the treatment of metabolic-related disorders ARENA PHARMACEUTICALS, INC. (US) 2007-04-05 US disclosed
WO-2006052569-A1 COMPOSITIONS FOR TREATING FLUSHING AND LIPID-ASSOCIATED DISORDERS COMPRISING NIACIN RECEPTOR PARTIAL AGONISTS ARENA PHARMACEUTICALS, INC. (US) 2006-05-18 WO disclosed
US-20050154029-A1 Human G protein-coupled receptors and modulators thereof for the treatment of metabolic-related disorders ARENA PHARMACEUTICALS, INC. (US) 2005-07-14 US disclosed
US-6902902-B2 Human G protein-coupled receptors and modulators thereof for the treatment of metabolic-related disorders ARENA PHARMACEUTICALS, INC. (US) 2005-06-07 US disclosed
US-20050004178-A1 Human G protein-coupled receptors and modulators thereof for the treatment of metabolic-related disorders ARENA PHARMACEUTICALS, INC. (US) 2005-01-06 US disclosed
US-20040142377-A1 Human G protein-coupled receptors and modulators thereof for the treatment of metabolic-related disorders ARENA PHARMACEUTICALS, INC. (US) 2004-07-22 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 (5 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-20050154029-A1 Human G protein-coupled receptors and modulators thereof for the treatment of metabolic-related disorders GPR119, ADIPOR2, GCGR PLA2G10 197/4885PLA2G2A 212/4885BRD4 1343/4885
US-20070079392-A1 Human G protein-coupled receptors and modulators thereof for the treatment of metabolic-related disorders GPR119, ADIPOR2, GCGR PLA2G10 197/4885PLA2G2A 212/4885BRD4 1343/4885
US-20080139628-A1 Compositions For Treating Flushing And Lipid-Associated Disorders Comprising Niacin Receptor Partial Agonists FFAR1, FFAR2, FFAR3 PLA2G10 638/4885PLA2G2A 435/4885BRD4 3189/4885
US-20050004178-A1 Human G protein-coupled receptors and modulators thereof for the treatment of metabolic-related disorders GPR119, ADIPOR2, GCGR PLA2G10 197/4885PLA2G2A 212/4885BRD4 1343/4885
US-20040142377-A1 Human G protein-coupled receptors and modulators thereof for the treatment of metabolic-related disorders GPR119, ADIPOR2, GCGR PLA2G10 197/4885PLA2G2A 212/4885BRD4 1343/4885

“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.