SCHEMBL1111176

SCHEMBL1111176

CN(C)S(=O)(=O)Nc1cccc(Oc2cc(F)cc(F)c2C#N)c1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 8/20 0.53
GPR119 Q8TDV5 5/20 0.46
HTT P42858 2/20 0.41
HPGD P15428 1/20 0.41
CACNA1H O95180 1/20 0.41
CACNA1B Q00975 1/20 0.41
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
SCN9A Q15858 2/20 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
SCHEMBL1142226 0.83 MAP2K1 (0.73) MAP2K1CA1CA2
SCHEMBL1111178 0.74 ALDH1A1 (0.42) MAP2K1HTTHPGD
SCHEMBL1111502 0.70 MAP2K1 (0.79) MAP2K1CA1CA2
SCHEMBL5203032 0.70 HTT (0.48) HTTHPGDCACNA1HCACNA1B
SCHEMBL1111479 0.70 MAP2K1 (1.00) MAP2K1CA1CA2
SCHEMBL1111376 0.70 MAP2K1 (0.82) MAP2K1CA1CA2
SCHEMBL1111373 0.69 MAP2K1 (0.79) MAP2K1CA1CA2
SCHEMBL1111204 0.69 MAP2K1 (0.83) MAP2K1CA1CA2
SCHEMBL17430405 0.66 FNTA (0.45) MAP2K1GPR119HPGD
SCHEMBL22904601 0.66 VEGFA (0.51)

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 11 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 disclosed
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-20110039819-A1 SUBSTITUTED PHENOXYBENZAMIDES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2011-02-17 US disclosed
EP-2279166-A1 SUBSTITUTED PHENOXYBENZAMIDES Bayer Schering Pharma Aktiengesellschaft (DE) 2011-02-02 EP disclosed
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 disclosed
WO-2009129938-A1 SUBSTITUTED PHENOXYBENZAMIDES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-10-29 WO 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
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
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
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 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 MAP2K1 141/4885GPR119 1193/4885HTT 1402/4885
US-20110039819-A1 SUBSTITUTED PHENOXYBENZAMIDES CCNB3, VEGFA, CCND2 MAP2K1 3245/4885GPR119 289/4885HTT 1159/4885
US-20090082328-A1 Substituted phenylamino-benzene derivatives useful for treating hyper-proliferative disorders and diseases associated with mitogen extracellular kinase activity MKI67, CDK4, VHL MAP2K1 141/4885GPR119 1193/4885HTT 1402/4885

“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.