SCHEMBL1673601

SCHEMBL1673601

O=[N+]([O-])c1c(NCc2cccc(C(F)(F)F)c2)ncnc1N1CCCCC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 4/20 0.51
RPS6KB1 P23443 4/20 0.51
MET P08581 1/20 0.49
IP6K1 Q92551 1/20 0.47
IP6K3 Q96PC2 1/20 0.47
IP6K2 Q9UHH9 1/20 0.47
CDK2 P24941 1/20 0.46
MAPK1 P28482 1/20 0.46
MAPK8 P45983 1/20 0.46
CSNK1A1 P48729 1/20 0.46
CSNK1D P48730 1/20 0.46
CDK7 P50613 1/20 0.46
CCNH P51946 1/20 0.46
MNAT1 P51948 1/20 0.46
EGFR P00533 1/20 0.46
HTT P42858 1/20 0.44
SERPINE1 P05121 2/20 0.44
GPR119 Q8TDV5 1/20 0.44
BRAF P15056 1/20 0.42
CNR1 P21554 1/20 0.42

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
SCHEMBL1673949 0.88 HTT (0.48) AURKARPS6KB1METEGFRHTT
SCHEMBL27652088 0.87 SERPINE1 (0.50) AURKARPS6KB1IP6K1IP6K3IP6K2
SCHEMBL12733773 0.85 HTT (0.47) AURKARPS6KB1EGFRHTTCA1
SCHEMBL1673847 0.83 GPR119 (0.58) AURKARPS6KB1GPR119ALDH1A1
SCHEMBL27652113 0.82 MAPT (0.45) RPS6KB1METGPR119KDM4EALDH1A1
SCHEMBL1673663 0.80 AURKA (0.43) AURKARPS6KB1EGFRHTTCNR1
SCHEMBL12733780 0.79 HTT (0.63) MAPK1HTTGPR119CA1CA2
SCHEMBL40042 0.74 SERPINE1 (0.51) AURKARPS6KB1METCDK2MAPK1
SCHEMBL27631844 0.72 AURKA (0.51) AURKARPS6KB1CDK2MAPK1MAPK8
SCHEMBL1673786 0.71 GPR119 (0.62) GPR119ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110082134-A1 1,2,3-Trisubstituted aryl and heteroaryl derivatives as modulators of metabolism and the prophylaxis and treatment of disorders related thereto such as diabetes and hyperglycemia ARENA PHARMACEUTICALS, INC. (US) 2011-04-07 US claimed
US-20060217379-A1 1,2,3-Trisubstituted aryl and heteroaryl derivatives as modulators of metabolism and the prophylaxis and treatment of disorders related thereto such as diabetes and hyperglycemia ARENA PHARMACEUTICALS 2006-09-28 US claimed
EP-1599468-A1 1,2,3-TRISUBSTITUTED ARYL AND HETEROARYL DERIVATIVES AS MODULATORS OF METABOLISM AND THE PROPHYLAXIS AND TREATMENT OF DISORDERS RELATED THERETO SUCH AS DIABETES AND HYPERGLYCEMIA Arena Pharmaceuticals, Inc. (US) 2005-11-30 EP claimed
WO-2004065380-A1 1,2,3-TRISUBSTITUTED ARYL AND HETEROARYL DERIVATIVES AS MODULATORS OF METABOLISM AND THE PRPPHYLAXIS AND TREATMENT OF DISORDERS RELATED THERETO SUCH AS DIABETES AND HYPERGLYCEMIA ARENA PHARMACEUTICALS INC. (US) 2004-08-05 WO claimed
US-8933083-B2 1,2,3-trisubstituted aryl and heteroaryl derivatives as modulators of metabolism and the prophylaxis and treatment of disorders related thereto such as diabetes and hyperglycemia ARENA PHARMACEUTICALS, INC. (US) 2015-01-13 US disclosed
US-8933083-B2 1,2,3-trisubstituted aryl and heteroaryl derivatives as modulators of metabolism and the prophylaxis and treatment of disorders related thereto such as diabetes and hyperglycemia ARENA PHARMACEUTICALS, INC. (US) 2015-01-13 US disclosed
US-20130023527-A1 1,2,3-Trisubstituted aryl and heteroaryl derivatives as modulators of metabolism and the prophylaxis and treatment of disorders related thereto such as diabetes and hyperglycemia ARENA PHARMACEUTICALS, INC. (US) 2013-01-24 US disclosed
US-20130023527-A1 1,2,3-Trisubstituted aryl and heteroaryl derivatives as modulators of metabolism and the prophylaxis and treatment of disorders related thereto such as diabetes and hyperglycemia ARENA PHARMACEUTICALS, INC. (US) 2013-01-24 US disclosed
US-8293751-B2 1,2,3-trisubstituted aryl and heteroaryl derivatives as modulators of metabolism and the prophylaxis and treatment of disorders related thereto such as diabetes and hyperglycemia ARENA PHARMACEUTICALS, INC. (US) 2012-10-23 US disclosed
US-8293751-B2 1,2,3-trisubstituted aryl and heteroaryl derivatives as modulators of metabolism and the prophylaxis and treatment of disorders related thereto such as diabetes and hyperglycemia ARENA PHARMACEUTICALS, INC. (US) 2012-10-23 US disclosed
US-8293751-B2 1,2,3-trisubstituted aryl and heteroaryl derivatives as modulators of metabolism and the prophylaxis and treatment of disorders related thereto such as diabetes and hyperglycemia ARENA PHARMACEUTICALS, INC. (US) 2012-10-23 US disclosed
US-20110082134-A1 1,2,3-Trisubstituted aryl and heteroaryl derivatives as modulators of metabolism and the prophylaxis and treatment of disorders related thereto such as diabetes and hyperglycemia ARENA PHARMACEUTICALS, INC. (US) 2011-04-07 US disclosed
US-20110082134-A1 1,2,3-Trisubstituted aryl and heteroaryl derivatives as modulators of metabolism and the prophylaxis and treatment of disorders related thereto such as diabetes and hyperglycemia ARENA PHARMACEUTICALS, INC. (US) 2011-04-07 US disclosed
EP-1927594-A1 1,2,3-Trisubstituted aryl and heteroaryl derivatives as modulators of metabolism and the prophylaxis and treatment of disorders related thereto such as diabetes and hyperglycemia Arena Pharmaceuticals, Inc. (US) 2008-06-04 EP disclosed
EP-1599468-B1 1,2,3-TRISUBSTITUTED ARYL AND HETEROARYL DERIVATIVES AS MODULATORS OF METABOLISM AND THE PROPHYLAXIS AND TREATMENT OF DISORDERS RELATED THERETO SUCH AS DIABETES AND HYPERGLYCEMIA ARENA PHARM INC (US) 2007-10-03 EP disclosed
US-20060217379-A1 1,2,3-Trisubstituted aryl and heteroaryl derivatives as modulators of metabolism and the prophylaxis and treatment of disorders related thereto such as diabetes and hyperglycemia ARENA PHARMACEUTICALS 2006-09-28 US disclosed
EP-1599468-A1 1,2,3-TRISUBSTITUTED ARYL AND HETEROARYL DERIVATIVES AS MODULATORS OF METABOLISM AND THE PROPHYLAXIS AND TREATMENT OF DISORDERS RELATED THERETO SUCH AS DIABETES AND HYPERGLYCEMIA Arena Pharmaceuticals, Inc. (US) 2005-11-30 EP disclosed
WO-2004065380-A1 1,2,3-TRISUBSTITUTED ARYL AND HETEROARYL DERIVATIVES AS MODULATORS OF METABOLISM AND THE PRPPHYLAXIS AND TREATMENT OF DISORDERS RELATED THERETO SUCH AS DIABETES AND HYPERGLYCEMIA ARENA PHARMACEUTICALS INC. (US) 2004-08-05 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 (3 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-20130023527-A1 1,2,3-Trisubstituted aryl and heteroaryl derivatives as modulators of metabolism and the prophylaxis and treatment of disorders related thereto such as diabetes and hyperglycemia CYP7A1, GPR119, UGT1A1 AURKA 4730/4885RPS6KB1 1794/4885MET 1320/4885
US-20110082134-A1 1,2,3-Trisubstituted aryl and heteroaryl derivatives as modulators of metabolism and the prophylaxis and treatment of disorders related thereto such as diabetes and hyperglycemia CYP7A1, GPR119, UGT1A1 AURKA 4730/4885RPS6KB1 1794/4885MET 1320/4885
US-20060217379-A1 1,2,3-Trisubstituted aryl and heteroaryl derivatives as modulators of metabolism and the prophylaxis and treatment of disorders related thereto such as diabetes and hyperglycemia UGT1A1, GPR119, UGT1A3 AURKA 4714/4885RPS6KB1 3725/4885MET 852/4885

“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.