SCHEMBL5081685

SCHEMBL5081685

CC(C)c1cc(-c2nnn[nH]2)n[nH]1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 2/20 0.56
HCAR3 P49019 1/20 0.40
TP53 P04637 7/20 0.39
MAPT P10636 6/20 0.39
POLB P06746 2/20 0.36
RAF1 P04049 5/20 0.33
BRAF P15056 2/20 0.33
PRKAB2 O43741 1/20 0.31
PRKAG1 P54619 1/20 0.31
PRKAA2 P54646 1/20 0.31
PRKAA1 Q13131 1/20 0.31
PRKAG3 Q9UGI9 1/20 0.31
PRKAG2 Q9UGJ0 1/20 0.31
PRKAB1 Q9Y478 1/20 0.31
KDM5A P29375 1/20 0.31
CCNA2 P20248 1/20 0.31
CDK2 P24941 1/20 0.31
CCNA1 P78396 1/20 0.31
COMT P21964 1/20 0.30

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
SCHEMBL12370923 0.69
SCHEMBL2375615 0.67 TP53 (0.63) HCAR2TP53MAPTPOLBRAF1
SCHEMBL5952118 0.66 METAP1 (0.51) HCAR2TP53MAPT
SCHEMBL16675881 0.66 HCAR2 (0.49) HCAR2HCAR3TP53MAPTPOLB
SCHEMBL11888038 0.64 CA12 (0.51) HCAR2HCAR3TP53MAPTPOLB
SCHEMBL11886212 0.64 SMN1; SMN2 (0.61) HCAR2TP53MAPTPOLBRAF1
SCHEMBL2609449 0.64 CRHBP (0.51) HCAR2TP53MAPTPOLBRAF1
SCHEMBL786337 0.63 HCAR2 (0.50) HCAR2HCAR3TP53MAPTPOLB
SCHEMBL4458826 0.63 HCAR2 (0.46) HCAR2HCAR3TP53MAPTPOLB
SCHEMBL101638 0.63

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080139628-A1 Compositions For Treating Flushing And Lipid-Associated Disorders Comprising Niacin Receptor Partial Agonists ARENA PHARMACEUTICALS, INC. (US) 2008-06-12 US claimed
CN-101076331-A Compositions comprising nicotinic acid receptor partial agonists for the treatment of rubeosis and lipid-related disorders ARENA PHARM INC (US) 2007-11-21 CN claimed
EP-1811996-A1 COMPOSITIONS FOR TREATING FLUSHING AND LIPID-ASSOCIATED DISORDERS COMPRISING NIACIN RECEPTOR PARTIAL AGONISTS Arena Pharmaceuticals, Inc. (US) 2007-08-01 EP claimed
WO-2006052569-A1 COMPOSITIONS FOR TREATING FLUSHING AND LIPID-ASSOCIATED DISORDERS COMPRISING NIACIN RECEPTOR PARTIAL AGONISTS ARENA PHARMACEUTICALS, INC. (US) 2006-05-18 WO claimed
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
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
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
CN-101076331-A Compositions comprising nicotinic acid receptor partial agonists for the treatment of rubeosis and lipid-related disorders ARENA PHARM INC (US) 2007-11-21 CN 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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20080139628-A1 Compositions For Treating Flushing And Lipid-Associated Disorders Comprising Niacin Receptor Partial Agonists FFAR1, FFAR2, FFAR3 HCAR2 11/4885HCAR3 19/4885TP53 4353/4885

“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.