SCHEMBL399424

SCHEMBL399424

CCOC(=O)c1cccc(-n2nc(C(C)(C)C)cc2NC(=O)Oc2ccccc2)c1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 8/20 0.55
MAPK13 O15264 5/20 0.55
MAPK12 P53778 5/20 0.55
MAPK11 Q15759 5/20 0.55
HPGD P15428 1/20 0.52
NTRK1 P04629 4/20 0.51
NTRK2 Q16620 3/20 0.51
NFE2 Q16621 1/20 0.51
JAK2 O60674 1/20 0.51
MAPK9 P45984 2/20 0.49
GAA P10253 2/20 0.49
CDK8 P49336 1/20 0.49
MAPK1 P28482 1/20 0.49
HTT P42858 1/20 0.49
HSD17B10 Q99714 1/20 0.49
RECQL P46063 1/20 0.48

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
SCHEMBL3185484 0.86 MAPK14 (0.73) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL1012411 0.85 MAPK14 (0.71) MAPK14MAPK13MAPK12MAPK11JAK2
SCHEMBL15008960 0.85 JAK2 (0.48) MAPK14MAPK13MAPK12MAPK11HPGD
SCHEMBL1012616 0.85 MAPK13 (0.66) MAPK14MAPK13MAPK12MAPK11HPGD
SCHEMBL4510854 0.84 MAPK14 (0.75) MAPK14MAPK13MAPK12MAPK11JAK2
SCHEMBL1015668 0.83 MAPK14 (0.61) MAPK14MAPK13MAPK12MAPK11JAK2
SCHEMBL15026596 0.83 JAK2 (0.46) MAPK14MAPK13MAPK12MAPK11HPGD
SCHEMBL1012863 0.82 MAPK14 (0.60) MAPK14MAPK13MAPK12MAPK11JAK2
SCHEMBL1011007 0.82 MAPK14 (0.60) MAPK14MAPK13MAPK12MAPK11NTRK1
Carbamic Acid SCHEMBL1780358 0.82 MAPK13 (0.62) MAPK14MAPK13MAPK12MAPK11JAK2

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8101773-B2 Hydroxy methyl phenyl pyrazolyl urea compounds useful in the treatment of cancer BAYER HEALTHCARE LLC (US) 2012-01-24 US disclosed
US-8101773-B2 Hydroxy methyl phenyl pyrazolyl urea compounds useful in the treatment of cancer BAYER HEALTHCARE LLC (US) 2012-01-24 US disclosed
US-8101773-B2 Hydroxy methyl phenyl pyrazolyl urea compounds useful in the treatment of cancer BAYER HEALTHCARE LLC (US) 2012-01-24 US disclosed
EP-2134677-B1 4-{4-[({3-TERT-BUTYL-1-[3-(HYDROXYMETHYL)PHENYL]-1H-PYRAZOL-5-YL}CARBAMOYL)-AMINO]-3-CHLOROPHENOXY}-N-METHYLPYRIDINE-2-CARBOXAMIDE AS AN INHIBITOR OF THE VEGFR KINASE FOR THE TREATMENT OF CANCER BAYER HEALTHCARE LLC (US) 2011-10-12 EP disclosed
EP-2134677-B1 4-{4-[({3-TERT-BUTYL-1-[3-(HYDROXYMETHYL)PHENYL]-1H-PYRAZOL-5-YL}CARBAMOYL)-AMINO]-3-CHLOROPHENOXY}-N-METHYLPYRIDINE-2-CARBOXAMIDE AS AN INHIBITOR OF THE VEGFR KINASE FOR THE TREATMENT OF CANCER BAYER HEALTHCARE LLC (US) 2011-10-12 EP 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
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-20100150863-A1 HYDROXY METHYL PHENYL PYRAZOLYL UREA COMPOUND USEFUL IN TREATMENT OF CANCER BAYER PHARMACEUTICALS CORPORATION (US) 2010-06-17 US disclosed
US-20100150863-A1 HYDROXY METHYL PHENYL PYRAZOLYL UREA COMPOUND USEFUL IN TREATMENT OF CANCER BAYER PHARMACEUTICALS CORPORATION (US) 2010-06-17 US disclosed
US-20100150863-A1 HYDROXY METHYL PHENYL PYRAZOLYL UREA COMPOUND USEFUL IN TREATMENT OF CANCER BAYER PHARMACEUTICALS CORPORATION (US) 2010-06-17 US disclosed
US-20100063107-A1 HYDROXY METHYL PHENYL PYRAZOLYL UREA COMPOUNDS USEFULL IN THE TREATMENT OF CANCER BAYER HEALTHCARE LLC (US) 2010-03-11 US disclosed
US-20100063107-A1 HYDROXY METHYL PHENYL PYRAZOLYL UREA COMPOUNDS USEFULL IN THE TREATMENT OF CANCER BAYER HEALTHCARE LLC (US) 2010-03-11 US disclosed
US-20100063107-A1 HYDROXY METHYL PHENYL PYRAZOLYL UREA COMPOUNDS USEFULL IN THE TREATMENT OF CANCER BAYER HEALTHCARE LLC (US) 2010-03-11 US disclosed
EP-2134677-A2 4-{4-[({3-TERT-BUTYL-1-[3-(HYDROXYMETHYL)PHENYL]-1H-PYRAZOL-5-YL}CARBAMOYL)-AMINO]-3-CHLOROPHENOXY}-N-METHYLPYRIDINE-2-CARBOXAMIDE AS AN INHIBITOR OF THE VEGFR KINASE FOR THE TREATMENT OF CANCER Bayer Healthcare, LLC (US) 2009-12-23 EP disclosed
EP-2111401-A1 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) 2009-10-28 EP disclosed
WO-2008079968-A1 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) 2008-07-03 WO disclosed
WO-2008079968-A1 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) 2008-07-03 WO disclosed
WO-2008079972-A2 4-{4- [ ({3-TERT-BUTYL-1- [3- (HYDROXYMETHYL) PHENYL] - 1H- PYRAZOL- 5 -YL } CARBAMOYL) -AMIN O] -3-CHLOROPHENOXY} -N-METHYLPYRIDINE-2-CARBOXAMIDE AS AN INHIBITOR OF THE VEGFR KINASE FOR THE TREATMENT OF CANCER BAYER HEALTHCARE LLC (US) 2008-07-03 WO disclosed
WO-2008079972-A2 4-{4- [ ({3-TERT-BUTYL-1- [3- (HYDROXYMETHYL) PHENYL] - 1H- PYRAZOL- 5 -YL } CARBAMOYL) -AMIN O] -3-CHLOROPHENOXY} -N-METHYLPYRIDINE-2-CARBOXAMIDE AS AN INHIBITOR OF THE VEGFR KINASE FOR THE TREATMENT OF CANCER BAYER HEALTHCARE LLC (US) 2008-07-03 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-20100063107-A1 HYDROXY METHYL PHENYL PYRAZOLYL UREA COMPOUNDS USEFULL IN THE TREATMENT OF CANCER TP53, DOT1L, VHL MAPK14 2665/4885MAPK13 3282/4885MAPK12 3489/4885
US-20100150863-A1 HYDROXY METHYL PHENYL PYRAZOLYL UREA COMPOUND USEFUL IN TREATMENT OF CANCER TP53, MGMT, VHL MAPK14 2068/4885MAPK13 2367/4885MAPK12 2314/4885

“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.