SCHEMBL1495036

SCHEMBL1495036

NC(=O)c1c(Nc2ccc(I)cc2F)cc(F)cc1OCC[C@H](O)CO

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 20/20 1.00
CA2 P00918 3/20 0.54

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
SCHEMBL1111089 1.00 MAP2K1 (1.00) MAP2K1CA2
SCHEMBL1111093 1.00 MAP2K1 (1.00) MAP2K1CA2
SCHEMBL1495128 0.95 MAP2K1 (0.91) MAP2K1CA2
SCHEMBL1494968 0.92 MAP2K1 (0.85) MAP2K1CA2
SCHEMBL1494970 0.92 MAP2K1 (0.85) MAP2K1CA2
SCHEMBL1142424 0.91 MAP2K1 (0.84) MAP2K1CA2
SCHEMBL1142420 0.91 MAP2K1 (0.84) MAP2K1CA2
SCHEMBL1494947 0.91 MAP2K1 (0.84) MAP2K1
SCHEMBL1494951 0.91 MAP2K1 (0.84) MAP2K1
SCHEMBL1494853 0.90 MAP2K1 (0.82) MAP2K1

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 12 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-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
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
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
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 (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 141/4885CA2 4395/4885
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 141/4885CA2 4395/4885

“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.