SCHEMBL1410596

SCHEMBL1410596

CC(C)(C)c1cc(NC(=O)Nc2ccc(Oc3ccncc3)cc2)n(-c2ccc(OCCN3CCCCC3)cc2)n1

nearest known ligand 0.71

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 7/20 0.71
MAPK14 Q16539 9/20 0.70
MAPK12 P53778 4/20 0.70
MAPK11 Q15759 4/20 0.70
MAPK9 P45984 1/20 0.70
RAF1 P04049 1/20 0.61
BRAF P15056 5/20 0.58
PTK2 Q05397 1/20 0.56
ABL1 P00519 2/20 0.55
AXL P30530 1/20 0.55
SRC P12931 1/20 0.53

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
SCHEMBL1410603 0.99 MAPK13 (0.72) MAPK13MAPK14MAPK12MAPK11MAPK9
SCHEMBL1410476 0.92 MAPK13 (0.64) MAPK13MAPK14MAPK12MAPK11MAPK9
SCHEMBL1410644 0.92 MAPK14 (0.84) MAPK13MAPK14MAPK12MAPK11MAPK9
SCHEMBL1409967 0.91 MAPK14 (0.67) MAPK13MAPK14MAPK12MAPK11MAPK9
SCHEMBL1410500 0.89 MAPK13 (0.72) MAPK13MAPK14MAPK12MAPK11MAPK9
SCHEMBL1410579 0.88 MAPK14 (0.77) MAPK13MAPK14MAPK12MAPK11MAPK9
SCHEMBL1410765 0.88 MAPK13 (0.77) MAPK13MAPK14MAPK12MAPK11MAPK9
SCHEMBL1410646 0.87 MAPK13 (0.79) MAPK13MAPK14MAPK12MAPK11MAPK9
SCHEMBL1410311 0.87 MAPK13 (0.68) MAPK13MAPK14MAPK12MAPK11MAPK9
SCHEMBL1410341 0.87 MAPK13 (0.78) MAPK13MAPK14MAPK12MAPK11MAPK9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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-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-20110136809-A1 Substituted Pyrazolyl Urea Derivatives Useful In The Treatment Of Cancer BAYER PHARMACEUTICALS CORPORATION (US) 2011-06-09 US disclosed
EP-2295427-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 2675/4885MAPK12 3110/4885
US-20110136809-A1 Substituted Pyrazolyl Urea Derivatives Useful In The Treatment Of Cancer UMPS, SLC14A1, TP53 MAPK13 3031/4885MAPK14 2675/4885MAPK12 3110/4885

“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.