SCHEMBL390387

SCHEMBL390387

CS(=O)(=O)c1ccc(Nc2ncnc(OC3CCN(C(=O)c4cccnc4)CC3)c2C#N)cc1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 7/20 0.49
TBK1 Q9UHD2 1/20 0.46
ALDH1A1 P00352 4/20 0.46
HTT P42858 1/20 0.46
NAMPT P43490 1/20 0.45
CYP3A4 P08684 1/20 0.44
PKM P14618 1/20 0.43
PRKAA2 P54646 1/20 0.42
KMT2A Q03164 1/20 0.42
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
PIK3CD O00329 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
SCHEMBL387795 0.86 GPR119 (0.57) GPR119ALDH1A1HTTNAMPT
SCHEMBL386058 0.86 GPR119 (0.51) GPR119TBK1PRKAA2
SCHEMBL5048800 0.85 GPR119 (0.56) GPR119TBK1
SCHEMBL14454758 0.84 SCN9A (0.47) GPR119TBK1ALDH1A1CYP3A4PRKAA2
SCHEMBL389004 0.82 GPR119 (0.59) GPR119TBK1
SCHEMBL389472 0.82 GPR119 (0.64) GPR119CYP3A4
SCHEMBL388020 0.82 GPR119 (0.71) GPR119
SCHEMBL389376 0.81 GPR119 (0.50) GPR119TBK1NAMPTPKM
SCHEMBL385945 0.80 GPR119 (0.59) GPR119TBK1
SCHEMBL389358 0.79 GPR119 (0.49) GPR119TBK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4777244-B2 2011-09-21 JP claimed
US-20110112060-A1 1,2,3-TRISUBSTITUTED ARYL AND HETEROARYL DERIVATIVES AS MODULATORS OF METABOLISM AND THE PROPHYLAXIS AND TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2011-05-12 US claimed
US-7838525-B2 Trisubstituted aryl and heteroaryl derivatives as modulators of metabolism and the prophylaxis and treatment of disorders related thereto ARENA PHARMACEUTICALS, INC. (US) 2010-11-23 US claimed
EP-1644357-B9 TRISUBSTITUTED ARYL AND HETEROARYL DERIVATIVES AS MODULATORS OF METABOLISM AND THE PROPHYLAXIS AND TREATMENT OF DISORDERS RELATED THERETO ARENA PHARM INC (US) 2010-03-24 EP claimed
US-7470699-B2 Trisubstituted aryl and heteroaryl derivatives as modulators of metabolism and the prophylaxis and treatment of disorders related thereto ARENA PHARMACEUTICALS, INC. (US) 2008-12-30 US claimed
EP-1923390-A1 Trisubstituted aryl and heteroaryl derivatives as modulators of metabolism and the prophylaxis and treatment of disorders related thereto Arena Pharmaceuticals, Inc. (US) 2008-05-21 EP claimed
EP-1644357-B1 TRISUBSTITUTED ARYL AND HETEROARYL DERIVATIVES AS MODULATORS OF METABOLISM AND THE PROPHYLAXIS AND TREATMENT OF DISORDERS RELATED THERETO ARENA PHARM INC (US) 2007-12-12 EP claimed
JP-2007528856-A 2007-10-18 JP claimed
US-20070155763-A1 Trisubstituted aryl and heteroaryl derivatives as modulators of metabolism and the phophylaxis and treatment of disorders related thereto ARENA PHARMACEUTICALS, INC. (US) 2007-07-05 US claimed
EP-1644357-A1 TRISUBSTITUTED ARYL AND HETEROARYL DERIVATIVES AS MODULATORS OF METABOLISM AND THE PROPHYLAXIS AND TREATMENT OF DISORDERS RELATED THERETO Arena Pharmaceuticals, Inc. (US) 2006-04-12 EP claimed
WO-2005007647-A9 TRISUBSTITUTED ARYL AND HETEROARYL DERIVATIVES AS MODULATORS OF METABOLISM AND THE PROPHYLAXIS AND TREATMENT OF DISORDERS RELATED THERETO ARENA PHARM INC (US) 2005-04-07 WO claimed
US-20050070562-A1 Trisubstituted aryl and heteroaryl derivatives as modulators of metabolism and the prophylaxis and treatment of disorders related thereto ARENA PHARMACEUTICALS, INC. 2005-03-31 US claimed
WO-2005007647-A1 TRISUBSTITUTED ARYL AND HETEROARYL DERIVATIVES AS MODULATORS OF METABOLISM AND THE PROPHYLAXIS AND TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2005-01-27 WO claimed
US-8546429-B2 1,2,3-trisubstituted aryl and heteroaryl derivatives as modulators of metabolism and the prophylaxis and treatment of disorders related thereto ARENA PHARMACEUTICALS, INC. (US) 2013-10-01 US disclosed
US-8546429-B2 1,2,3-trisubstituted aryl and heteroaryl derivatives as modulators of metabolism and the prophylaxis and treatment of disorders related thereto ARENA PHARMACEUTICALS, INC. (US) 2013-10-01 US disclosed
US-8546429-B2 1,2,3-trisubstituted aryl and heteroaryl derivatives as modulators of metabolism and the prophylaxis and treatment of disorders related thereto ARENA PHARMACEUTICALS, INC. (US) 2013-10-01 US disclosed
EP-1644357-A1 TRISUBSTITUTED ARYL AND HETEROARYL DERIVATIVES AS MODULATORS OF METABOLISM AND THE PROPHYLAXIS AND TREATMENT OF DISORDERS RELATED THERETO Arena Pharmaceuticals, Inc. (US) 2006-04-12 EP disclosed
WO-2005007647-A9 TRISUBSTITUTED ARYL AND HETEROARYL DERIVATIVES AS MODULATORS OF METABOLISM AND THE PROPHYLAXIS AND TREATMENT OF DISORDERS RELATED THERETO ARENA PHARM INC (US) 2005-04-07 WO disclosed
US-20050070562-A1 Trisubstituted aryl and heteroaryl derivatives as modulators of metabolism and the prophylaxis and treatment of disorders related thereto ARENA PHARMACEUTICALS, INC. 2005-03-31 US disclosed
WO-2005007647-A1 TRISUBSTITUTED ARYL AND HETEROARYL DERIVATIVES AS MODULATORS OF METABOLISM AND THE PROPHYLAXIS AND TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2005-01-27 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-20110112060-A1 1,2,3-TRISUBSTITUTED ARYL AND HETEROARYL DERIVATIVES AS MODULATORS OF METABOLISM AND THE PROPHYLAXIS AND TREATMENT OF DISORDERS RELATED THERETO CYP7A1, CYP27A1, SULT2A1 GPR119 25/4885TBK1 4582/4885ALDH1A1 163/4885
US-20070155763-A1 Trisubstituted aryl and heteroaryl derivatives as modulators of metabolism and the phophylaxis and treatment of disorders related thereto CYP27A1, CYP11B2, CYP11B1 GPR119 6/4885TBK1 4245/4885ALDH1A1 515/4885
US-20050070562-A1 Trisubstituted aryl and heteroaryl derivatives as modulators of metabolism and the prophylaxis and treatment of disorders related thereto CYP7A1, CYP27A1, SULT2A1 GPR119 13/4885TBK1 4426/4885ALDH1A1 217/4885

“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.