SCHEMBL1495053

SCHEMBL1495053

CNC(=O)c1c(Nc2ccc(I)cc2F)cc(F)cc1OCCC(O)CO

nearest known ligand 0.79

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 20/20 0.79
MAP2K2 P36507 1/20 0.46

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
SCHEMBL1494734 1.00 MAP2K1 (0.79) MAP2K1MAP2K2
SCHEMBL1494789 0.91 MAP2K1 (0.77) MAP2K1MAP2K2
SCHEMBL1494947 0.89 MAP2K1 (0.84) MAP2K1MAP2K2
SCHEMBL1494951 0.89 MAP2K1 (0.84) MAP2K1MAP2K2
SCHEMBL1111093 0.89 MAP2K1 (1.00) MAP2K1
SCHEMBL1495036 0.89 MAP2K1 (1.00) MAP2K1
SCHEMBL1111089 0.89 MAP2K1 (1.00) MAP2K1
SCHEMBL1494974 0.87 MAP2K1 (0.61) MAP2K1MAP2K2
SCHEMBL1142911 0.86 MAP2K1 (0.72) MAP2K1MAP2K2
SCHEMBL1142908 0.86 MAP2K1 (0.72) MAP2K1MAP2K2

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 6 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
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
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-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 (2 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 141/4885MAP2K2 91/4885
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 141/4885MAP2K2 91/4885

“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.