SCHEMBL1128969

SCHEMBL1128969

Cc1cc(Oc2ccc(NC(=O)Nc3cc(C(C)(C)C)nn3-c3cccc(CO)c3)c(F)c2)ccn1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 8/20 0.69
MAPK13 O15264 2/20 0.60
BRAF P15056 13/20 0.60
KCNH2 Q12809 1/20 0.60
PLK4 O00444 1/20 0.59
ACOX3 O15254 1/20 0.59
MAP3K7 O43318 1/20 0.59
DYRK3 O43781 1/20 0.59
JAK2 O60674 1/20 0.59
ERN1 O75460 1/20 0.59
RPS6KA4 O75676 1/20 0.59
STK10 O94804 1/20 0.59
MAP4K4 O95819 1/20 0.59
ABL1 P00519 1/20 0.59
RAF1 P04049 1/20 0.59
NTRK1 P04629 1/20 0.59
LCK P06239 1/20 0.59
FYN P06241 1/20 0.59
CDK1 P06493 1/20 0.59
FES P07332 1/20 0.59

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
SCHEMBL1410533 0.93 MAPK14 (0.71) MAPK14MAPK13BRAFKCNH2PLK4
SCHEMBL1130597 0.91 MAPK14 (0.70) MAPK14MAPK13BRAFPLK4ACOX3
SCHEMBL1410345 0.91 MAPK14 (0.66) MAPK14MAPK13BRAFKCNH2PLK4
SCHEMBL29849902 0.90 BRAF (0.74) MAPK14MAPK13BRAFKCNH2PLK4
SCHEMBL398737 0.90 BRAF (0.74) MAPK14MAPK13BRAFKCNH2PLK4
SCHEMBL1410738 0.89 MAPK14 (0.68) MAPK14MAPK13BRAFKCNH2PLK4
SCHEMBL5058610 0.89 MAPK14 (0.65) MAPK14MAPK13BRAFKCNH2PLK4
SCHEMBL1409816 0.89 MAPK14 (0.61) MAPK14MAPK13BRAFKCNH2PLK4
SCHEMBL1411110 0.89 MAPK14 (0.67) MAPK14MAPK13BRAFKCNH2PLK4
SCHEMBL1410376 0.89 MAPK14 (0.63) MAPK14MAPK13BRAFKCNH2PLK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1751139-B1 SUBSTITUTED PYRAZOLYL UREA DERIVATIVES USEFUL IN THE TREATMENT OF CANCER BAYER HEALTHCARE LLC (US) 2011-07-27 EP claimed
EP-2295426-A1 Substituted pyrazolyl urea derivatives useful in the treatment of cancer Bayer HealthCare, LLC (US) 2011-03-16 EP claimed
EP-2295427-A1 Substituted pyrazolyl urea derivatives useful in the treatment of cancer Bayer HealthCare, LLC (US) 2011-03-16 EP claimed
US-7838524-B2 Substituted pyrazolyl urea derivatives useful in the treatment of cancer BAYER HEALTHCARE LLC (US) 2010-11-23 US claimed
US-20080214545-A1 Substituted Pyrazolyl Urea Derivatives Useful in the Treatment of Cancer BAYER HEALTHCARE LLC 2008-09-04 US claimed
EP-1751139-A2 SUBSTITUTED PYRAZOLYL UREA DERIVATIVES USEFUL IN THE TREATMENT OF CANCER Bayer Pharmaceuticals Corporation (US) 2007-02-14 EP claimed
WO-2005110994-A2 SUBSTITUTED PYRAZOLYL UREA DERIVATIVES USEFUL IN THE TREATMENT OF CANCER BAYER PHARMACEUTICALS CORPORATION (US) 2005-11-24 WO claimed
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
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
EP-2111401-B1 4-{4-[({3-TERT-BUTYL-1-[3-(HYDROXYMETHYL) PHENYL]-1H-PYRAZOL-5-YL } CARBAMOYL)-AMINO]-3-FLUOROPHENOXY} -N-METHYLPYRIDINE-2-CARBOXAMIDE AS WELL AS PRODRUGS AND SALTS THEREOF FOR THE TREATMENT OF CANCER BAYER HEALTHCARE LLC (US) 2011-02-16 EP 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
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 (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-20080214545-A1 Substituted Pyrazolyl Urea Derivatives Useful in the Treatment of Cancer UMPS, SLC14A1, TP53 MAPK14 2675/4885MAPK13 3031/4885BRAF 159/4885
US-20110136809-A1 Substituted Pyrazolyl Urea Derivatives Useful In The Treatment Of Cancer UMPS, SLC14A1, TP53 MAPK14 2675/4885MAPK13 3031/4885BRAF 159/4885

“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.