SCHEMBL3472211

SCHEMBL3472211

CC(C)(C)c1cc(NC(=O)Nc2ccc(Oc3cccnc3)cc2)n(-c2ccc(OCCNC(=O)O)cc2)n1

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 7/20 0.64
PTK2 Q05397 1/20 0.60
MAPK14 Q16539 8/20 0.58
MAPK12 P53778 5/20 0.58
MAPK11 Q15759 5/20 0.58
ABL1 P00519 3/20 0.58
AXL P30530 1/20 0.58
BRAF P15056 7/20 0.57
PTK2B Q14289 1/20 0.56
SRC P12931 2/20 0.56
MAPK9 P45984 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
SCHEMBL10234331 0.92 MAPK13 (0.59) MAPK13PTK2MAPK14MAPK12MAPK11
SCHEMBL3472215 0.91 MAPK13 (0.77) MAPK13PTK2MAPK14MAPK12MAPK11
SCHEMBL1410440 0.90 MAPK13 (0.65) MAPK13PTK2MAPK14MAPK12MAPK11
SCHEMBL1409947 0.90 MAPK13 (0.64) MAPK13PTK2MAPK14MAPK12MAPK11
SCHEMBL1410463 0.90 MAPK13 (0.64) MAPK13PTK2MAPK14MAPK12MAPK11
Trifluoroacetic Acid SCHEMBL1410295 0.89 MAPK13 (0.60) MAPK13PTK2MAPK14MAPK12MAPK11
SCHEMBL1410299 0.88 MAPK13 (0.60) MAPK13PTK2MAPK14MAPK12MAPK11
SCHEMBL1410621 0.87 MAPK13 (0.59) MAPK13PTK2MAPK14MAPK12MAPK11
SCHEMBL1409967 0.86 MAPK14 (0.67) MAPK13PTK2MAPK14MAPK12MAPK11
SCHEMBL3471536 0.86 MAPK13 (0.62) MAPK13PTK2MAPK14MAPK12MAPK11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8207166-B2 Substituted pyrazolyl urea derivatives useful in the treatment of cancer BAYER HEALTHCARE LLC (US) 2012-06-26 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 3031/4885PTK2 4304/4885MAPK14 2675/4885

“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.