SCHEMBL1409760

SCHEMBL1409760

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

nearest known ligand 0.75

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 9/20 0.75
MAPK14 Q16539 11/20 0.67
RAF1 P04049 1/20 0.63
MAPK12 P53778 6/20 0.61
MAPK11 Q15759 6/20 0.61
BRAF P15056 5/20 0.61
PTK2 Q05397 1/20 0.60
ABL1 P00519 2/20 0.58
AXL P30530 1/20 0.58
MAPK9 P45984 1/20 0.58
SRC P12931 1/20 0.56

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
SCHEMBL1410341 0.91 MAPK13 (0.78) MAPK13MAPK14RAF1MAPK12MAPK11
SCHEMBL1410646 0.90 MAPK13 (0.79) MAPK13MAPK14RAF1MAPK12MAPK11
SCHEMBL1410016 0.90 MAPK13 (0.71) MAPK13MAPK14RAF1MAPK12MAPK11
SCHEMBL1410701 0.90 MAPK13 (0.78) MAPK13MAPK14RAF1MAPK12MAPK11
SCHEMBL1409636 0.90 MAPK13 (0.78) MAPK13MAPK14RAF1MAPK12MAPK11
SCHEMBL1410435 0.90 MAPK13 (0.78) MAPK13MAPK14RAF1MAPK12MAPK11
SCHEMBL3472215 0.89 MAPK13 (0.77) MAPK13MAPK14RAF1MAPK12MAPK11
SCHEMBL2253982 0.88 MAPK13 (0.75) MAPK13MAPK14RAF1MAPK12MAPK11
Trifluoroacetic Acid SCHEMBL1410438 0.87 MAPK13 (0.72) MAPK13MAPK14RAF1MAPK12MAPK11
SCHEMBL9947758 0.87 MAPK13 (0.74) MAPK13MAPK14RAF1MAPK12MAPK11

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 22 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-2295427-A1 Substituted pyrazolyl urea derivatives useful in the treatment of cancer Bayer HealthCare, LLC (US) 2011-03-16 EP claimed
EP-2295426-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-2295426-A1 Substituted pyrazolyl urea derivatives useful in the treatment of cancer Bayer HealthCare, LLC (US) 2011-03-16 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-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

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 MAPK13 3031/4885MAPK14 2675/4885RAF1 381/4885
US-20110136809-A1 Substituted Pyrazolyl Urea Derivatives Useful In The Treatment Of Cancer UMPS, SLC14A1, TP53 MAPK13 3031/4885MAPK14 2675/4885RAF1 381/4885

“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.