SCHEMBL1410164

SCHEMBL1410164

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

nearest known ligand 0.74

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 9/20 0.74
MAPK14 Q16539 13/20 0.66
RAF1 P04049 1/20 0.62
PTK2 Q05397 2/20 0.59
BRAF P15056 1/20 0.58
MAPK11 Q15759 6/20 0.58
MAPK12 P53778 5/20 0.58
ABL1 P00519 2/20 0.55
AXL P30530 1/20 0.55
SRC P12931 1/20 0.53
CYP2C8 P10632 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
ERBB2 P04626 1/20 0.52

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
SCHEMBL1410459 0.91 MAPK13 (0.61) MAPK13MAPK14PTK2BRAFMAPK11
SCHEMBL1410381 0.89 MAPK13 (0.73) MAPK13MAPK14RAF1PTK2BRAF
SCHEMBL1409921 0.89 MAPK13 (0.81) MAPK13MAPK14RAF1PTK2BRAF
SCHEMBL1410484 0.88 MAPK13 (0.71) MAPK13MAPK14RAF1PTK2BRAF
SCHEMBL1410162 0.87 MAPK13 (0.73) MAPK13MAPK14RAF1PTK2BRAF
SCHEMBL1410289 0.86 MAPK13 (0.79) MAPK13MAPK14RAF1PTK2BRAF
SCHEMBL1410359 0.86 MAPK13 (0.79) MAPK13MAPK14RAF1PTK2BRAF
SCHEMBL10234754 0.86 MAPK13 (0.71) MAPK13MAPK14RAF1PTK2BRAF
SCHEMBL1410483 0.86 MAPK13 (0.71) MAPK13MAPK14RAF1PTK2BRAF
SCHEMBL1410487 0.86 MAPK13 (0.71) MAPK13MAPK14RAF1PTK2BRAF

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