SCHEMBL401601

SCHEMBL401601

CC(C)(C)c1cc(NC(=O)Nc2ccc(Oc3ccncc3)cc2)n(-c2ccc(F)cc2)n1

nearest known ligand 0.85

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 9/20 0.85
MAPK14 Q16539 11/20 0.80
RAF1 P04049 1/20 0.71
BRAF P15056 3/20 0.68
PTK2 Q05397 2/20 0.67
MAPK12 P53778 5/20 0.66
MAPK11 Q15759 5/20 0.66
ABL1 P00519 2/20 0.62
AXL P30530 1/20 0.62
CYP2C8 P10632 1/20 0.60
CYP2D6 P10635 1/20 0.60
CYP2C9 P11712 1/20 0.60
SRC P12931 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
SCHEMBL16870189 0.92 MAPK13 (1.00) MAPK13MAPK14RAF1BRAFPTK2
SCHEMBL16870206 0.91 MAPK13 (0.87) MAPK13MAPK14RAF1BRAFPTK2
SCHEMBL5201107 0.90 MAPK13 (0.85) MAPK13MAPK14RAF1BRAFPTK2
SCHEMBL1410604 0.90 MAPK13 (0.85) MAPK13MAPK14RAF1BRAFPTK2
SCHEMBL28933401 0.90 MAPK13 (0.85) MAPK13MAPK14RAF1BRAFPTK2
SCHEMBL1846379 0.90 MAPK14 (0.81) MAPK13MAPK14RAF1BRAFPTK2
SCHEMBL1944211 0.89 MAPK13 (0.84) MAPK13MAPK14RAF1BRAFPTK2
SCHEMBL4689912 0.89 MAPK13 (0.68) MAPK13MAPK14RAF1BRAFPTK2
SCHEMBL23630693 0.89 MAPK14 (1.00) MAPK13MAPK14RAF1BRAFPTK2
SCHEMBL29844531 0.89 MAPK14 (1.00) MAPK13MAPK14RAF1BRAFPTK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10653684-B2 Aryl ureas with angiogenisis inhibiting activity BAYER HEALTHCARE LLC (US) 2020-05-19 US disclosed
US-20180296541-A9 ARYL UREAS WITH ANGIOGENISIS INHIBITING ACTIVITY BAYER HEALTHCARE LLC (US) 2018-10-18 US disclosed
US-20160015697-A1 ARYL UREAS WITH ANGIOGENISIS INHIBITING ACTIVITY BAYER HEALTHCARE LLC (US) 2016-01-21 US disclosed
US-8618141-B2 Aryl ureas with angiogenesis inhibiting activity BAYER HEALTHCARE LLC (US) 2013-12-31 US disclosed
US-20120289552-A1 ARYL UREAS WITH ANGIOGENESIS INHIBITING ACTIVITY BAYER HEALTHCARE LLC (US) 2012-11-15 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-2324825-A1 Aryl ureas with angiogenesis inhibiting activity Bayer Healthcare LLC (US) 2011-05-25 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-7838541-B2 Aryl ureas with angiogenesis inhibiting activity BAYER HEALTHCARE, LLC (US) 2010-11-23 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
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-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 (6 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 MAPK13 3282/4885MAPK14 2665/4885RAF1 1080/4885
US-20180296541-A9 ARYL UREAS WITH ANGIOGENISIS INHIBITING ACTIVITY FLT1, FLT4, KDR MAPK13 126/4885MAPK14 445/4885RAF1 867/4885
US-20100150863-A1 HYDROXY METHYL PHENYL PYRAZOLYL UREA COMPOUND USEFUL IN TREATMENT OF CANCER TP53, MGMT, VHL MAPK13 2367/4885MAPK14 2068/4885RAF1 880/4885
US-10653684-B2 Aryl ureas with angiogenisis inhibiting activity FLT1, FLT4, KDR MAPK13 126/4885MAPK14 445/4885RAF1 867/4885
US-20120289552-A1 ARYL UREAS WITH ANGIOGENESIS INHIBITING ACTIVITY FLT4, FLT1, KDR MAPK13 157/4885MAPK14 380/4885RAF1 817/4885
US-20160015697-A1 ARYL UREAS WITH ANGIOGENISIS INHIBITING ACTIVITY FLT1, FLT4, KDR MAPK13 126/4885MAPK14 445/4885RAF1 867/4885

“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.