SCHEMBL1409741

SCHEMBL1409741

COC(=O)c1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Oc2ccccc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 11/20 0.59
MAPK12 P53778 11/20 0.59
MAPK11 Q15759 11/20 0.59
MAPK14 Q16539 11/20 0.59
NTRK1 P04629 3/20 0.56
NTRK2 Q16620 2/20 0.56
NFE2 Q16621 1/20 0.56
JAK2 O60674 1/20 0.54
GAA P10253 1/20 0.53
CDK8 P49336 1/20 0.51
RECQL P46063 1/20 0.51

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
SCHEMBL1012616 0.90 MAPK13 (0.66) MAPK13MAPK12MAPK11MAPK14JAK2
SCHEMBL1013743 0.89 MAPK14 (0.73) MAPK13MAPK12MAPK11MAPK14NTRK1
SCHEMBL378957 0.89 MAPK14 (0.68) MAPK13MAPK12MAPK11MAPK14JAK2
SCHEMBL1013690 0.88 MAPK13 (0.59) MAPK13MAPK12MAPK11MAPK14JAK2
SCHEMBL1793950 0.87 MAPK14 (0.58) MAPK13MAPK12MAPK11MAPK14JAK2
SCHEMBL1012997 0.87 MAPK14 (0.66) MAPK13MAPK12MAPK11MAPK14JAK2
Carbamic Acid SCHEMBL1780358 0.87 MAPK13 (0.62) MAPK13MAPK12MAPK11MAPK14JAK2
SCHEMBL4226618 0.86 CDK8 (0.63) MAPK13MAPK12MAPK11MAPK14NTRK1
SCHEMBL1013422 0.86 MAPK13 (0.69) MAPK13MAPK12MAPK11MAPK14JAK2
SCHEMBL17449180 0.85 MAPK13 (0.58) MAPK13MAPK12MAPK11MAPK14JAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8207166-B2 Substituted pyrazolyl urea derivatives useful in the treatment of cancer BAYER HEALTHCARE LLC (US) 2012-06-26 US disclosed
US-8207166-B2 Substituted pyrazolyl urea derivatives useful in the treatment of cancer BAYER HEALTHCARE LLC (US) 2012-06-26 US disclosed
US-8207166-B2 Substituted pyrazolyl urea derivatives useful in the treatment of cancer BAYER HEALTHCARE LLC (US) 2012-06-26 US disclosed
US-20110195110-A1 UREA COMPOUNDS USEFUL IN THE TREATMENT OF CANCER BAYER HEALTHCARE LLC 2011-08-11 US disclosed
US-20110195110-A1 UREA COMPOUNDS USEFUL IN THE TREATMENT OF CANCER BAYER HEALTHCARE LLC 2011-08-11 US disclosed
US-20110195110-A1 UREA COMPOUNDS USEFUL IN THE TREATMENT OF CANCER BAYER HEALTHCARE LLC 2011-08-11 US disclosed
EP-1751139-B1 SUBSTITUTED PYRAZOLYL UREA DERIVATIVES USEFUL IN THE TREATMENT OF CANCER BAYER HEALTHCARE LLC (US) 2011-07-27 EP disclosed
EP-1751139-B1 SUBSTITUTED PYRAZOLYL UREA DERIVATIVES USEFUL IN THE TREATMENT OF CANCER BAYER HEALTHCARE LLC (US) 2011-07-27 EP disclosed
US-20110136809-A1 Substituted Pyrazolyl Urea Derivatives Useful In The Treatment Of Cancer BAYER PHARMACEUTICALS CORPORATION (US) 2011-06-09 US disclosed
US-20110136809-A1 Substituted Pyrazolyl Urea Derivatives Useful In The Treatment Of Cancer BAYER PHARMACEUTICALS CORPORATION (US) 2011-06-09 US disclosed
US-7838524-B2 Substituted pyrazolyl urea derivatives useful in the treatment of cancer BAYER HEALTHCARE LLC (US) 2010-11-23 US disclosed
US-7838524-B2 Substituted pyrazolyl urea derivatives useful in the treatment of cancer BAYER HEALTHCARE LLC (US) 2010-11-23 US disclosed
US-20080214545-A1 Substituted Pyrazolyl Urea Derivatives Useful in the Treatment of Cancer BAYER HEALTHCARE LLC 2008-09-04 US disclosed
US-20080214545-A1 Substituted Pyrazolyl Urea Derivatives Useful in the Treatment of Cancer BAYER HEALTHCARE LLC 2008-09-04 US disclosed
US-20080214545-A1 Substituted Pyrazolyl Urea Derivatives Useful in the Treatment of Cancer BAYER HEALTHCARE LLC 2008-09-04 US disclosed
EP-1960394-A2 PYRAZOLYL UREA DERIVATIVES USEFUL IN THE TREATMENT OF CANCER Bayer HealthCare AG (DE) 2008-08-27 EP disclosed
WO-2007064872-A2 UREA COMPOUNDS USEFUL IN THE TREATMENT OF CANCER BAYER HEALTHCARE LLC (US) 2007-06-07 WO disclosed
WO-2007059202-A2 PYRAZOLYL UREA DERIVATIVES USEFUL IN THE TREATMENT OF CANCER BAYER HEALTHCARE AG (DE) 2007-05-24 WO disclosed
EP-1751139-A2 SUBSTITUTED PYRAZOLYL UREA DERIVATIVES USEFUL IN THE TREATMENT OF CANCER Bayer Pharmaceuticals Corporation (US) 2007-02-14 EP disclosed
WO-2005110994-A2 SUBSTITUTED PYRAZOLYL UREA DERIVATIVES USEFUL IN THE TREATMENT OF CANCER BAYER PHARMACEUTICALS CORPORATION (US) 2005-11-24 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-20080214545-A1 Substituted Pyrazolyl Urea Derivatives Useful in the Treatment of Cancer UMPS, SLC14A1, TP53 MAPK13 3031/4885MAPK12 3110/4885MAPK11 2481/4885
US-20110136809-A1 Substituted Pyrazolyl Urea Derivatives Useful In The Treatment Of Cancer UMPS, SLC14A1, TP53 MAPK13 3031/4885MAPK12 3110/4885MAPK11 2481/4885
US-20110195110-A1 UREA COMPOUNDS USEFUL IN THE TREATMENT OF CANCER UMPS, SLC14A1, CPS1 MAPK13 3641/4885MAPK12 4114/4885MAPK11 3367/4885

“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.