SCHEMBL1111331

SCHEMBL1111331

CC(C)(C)OC(=O)N1CCCC(COc2cc(F)cc(Nc3ccc(I)cc3F)c2C#N)C1

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.51
MAP2K1 Q02750 12/20 0.49
GPR119 Q8TDV5 3/20 0.42
ALOX5AP P20292 1/20 0.41
FEN1 P39748 1/20 0.41
CHEK2 O96017 1/20 0.39

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
SCHEMBL13906271 1.00 SCN9A (0.51) SCN9AMAP2K1GPR119ALOX5APFEN1
SCHEMBL13906269 0.95 MAP2K1 (0.47) SCN9AMAP2K1GPR119ALOX5APFEN1
SCHEMBL1111233 0.95 MAP2K1 (0.47) SCN9AMAP2K1GPR119ALOX5APFEN1
SCHEMBL12869543 0.95 MAP2K1 (0.47) SCN9AMAP2K1GPR119ALOX5APFEN1
SCHEMBL13915452 0.94 MAP2K1 (0.47) SCN9AMAP2K1GPR119
SCHEMBL1141629 0.92 MAP2K1 (0.47) SCN9AMAP2K1GPR119
SCHEMBL13906303 0.88 MAP2K1 (0.66) SCN9AMAP2K1
SCHEMBL1111324 0.88 MAP2K1 (0.66) SCN9AMAP2K1
SCHEMBL1111489 0.85 EPHA2 (0.45) MAP2K1GPR119
SCHEMBL13906273 0.85 EPHA2 (0.45) MAP2K1GPR119

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-20110071125-A1 SUBSTITUTED PHENYLAMINO-BENZENE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH MITOGEN EXTRACELLULAR KINASE ACTIVITY BAYER INTELLECTUAL PROPERTY GMBH (DE) 2011-03-24 US claimed
US-20110039819-A1 SUBSTITUTED PHENOXYBENZAMIDES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2011-02-17 US claimed
EP-2279166-A1 SUBSTITUTED PHENOXYBENZAMIDES Bayer Schering Pharma Aktiengesellschaft (DE) 2011-02-02 EP claimed
EP-2155659-A1 SUBSTITUTED PHENYLAMINO-BENZENE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH MITOGEN EXTRACELLULAR KINASE ACTIVITY Bayer Schering Pharma Aktiengesellschaft (DE) 2010-02-24 EP claimed
WO-2009129938-A1 SUBSTITUTED PHENOXYBENZAMIDES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-10-29 WO claimed
US-20090082328-A1 Substituted phenylamino-benzene derivatives useful for treating hyper-proliferative disorders and diseases associated with mitogen extracellular kinase activity BAYER SCHERING PHARMA AKTIENGESELLSCHAFT 2009-03-26 US claimed
WO-2008138639-A1 SUBSTITUTED PHENYLAMINO-BENZENE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH MITOGEN EXTRACELLULAR KINASE ACTIVITY BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-11-20 WO claimed
US-20110071125-A1 SUBSTITUTED PHENYLAMINO-BENZENE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH MITOGEN EXTRACELLULAR KINASE ACTIVITY BAYER INTELLECTUAL PROPERTY GMBH (DE) 2011-03-24 US disclosed
US-20110039819-A1 SUBSTITUTED PHENOXYBENZAMIDES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2011-02-17 US disclosed
US-20090082328-A1 Substituted phenylamino-benzene derivatives useful for treating hyper-proliferative disorders and diseases associated with mitogen extracellular kinase activity BAYER SCHERING PHARMA AKTIENGESELLSCHAFT 2009-03-26 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 (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-20110071125-A1 SUBSTITUTED PHENYLAMINO-BENZENE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH MITOGEN EXTRACELLULAR KINASE ACTIVITY MKI67, CDK4, VHL SCN9A 4716/4885MAP2K1 141/4885GPR119 1193/4885
US-20110039819-A1 SUBSTITUTED PHENOXYBENZAMIDES CCNB3, VEGFA, CCND2 SCN9A 3613/4885MAP2K1 3245/4885GPR119 289/4885
US-20090082328-A1 Substituted phenylamino-benzene derivatives useful for treating hyper-proliferative disorders and diseases associated with mitogen extracellular kinase activity MKI67, CDK4, VHL SCN9A 4716/4885MAP2K1 141/4885GPR119 1193/4885

“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.