SCHEMBL828037

SCHEMBL828037

COCCn1cc(-c2cc(Oc3ccc(NC(=O)Nc4cc(C(C)(C)C)nn4C)c(F)c3F)ccn2)cn1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.50
MAPK14 Q16539 5/20 0.49
MAPK13 O15264 2/20 0.49
BRAF P15056 3/20 0.48
GSK3A P49840 6/20 0.48
MAPK12 P53778 5/20 0.48
SRC P12931 4/20 0.48
AXL P30530 1/20 0.45
CSF1R P07333 4/20 0.43
SYK P43405 2/20 0.43
HCK P08631 1/20 0.43
GSK3B P49841 1/20 0.43
PDGFRA P16234 2/20 0.41
MET P08581 1/20 0.41
PDGFRB P09619 1/20 0.41
FLT3 P36888 1/20 0.41
RAF1 P04049 1/20 0.41

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
SCHEMBL828915 0.98 ABL1 (0.48) ABL1MAPK14MAPK13BRAFGSK3A
SCHEMBL574635 0.94 MAPK14 (0.51) ABL1MAPK14MAPK13BRAFGSK3A
SCHEMBL828528 0.91 MAPK14 (0.49) ABL1MAPK14MAPK13BRAFGSK3A
SCHEMBL574094 0.91 MAPK14 (0.49) ABL1MAPK14MAPK13BRAFGSK3A
SCHEMBL574527 0.90 MAPK14 (0.48) ABL1MAPK14MAPK13BRAFGSK3A
SCHEMBL574170 0.89 MAPK14 (0.54) ABL1MAPK14MAPK13BRAFAXL
SCHEMBL828916 0.86 AXL (0.42) ABL1MAPK14MAPK13BRAFGSK3A
SCHEMBL828634 0.85 MAPK13 (0.51) ABL1MAPK14MAPK13BRAFAXL
SCHEMBL828171 0.83 CSF1R (0.52) ABL1MAPK14MAPK13BRAFAXL
SCHEMBL573795 0.83 MAPK13 (0.53) ABL1MAPK14MAPK13BRAFAXL

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-8143293-B2 disease caused by c-Abl kinase, c-Kit kinase, oncogenic forms, aberrant fusion proteins and polymorphs; 1-(3-t-butylisoxazol-5-yl)-3-(2-fluoro-4-(2-(1-methyl-1H-pyrazol-4-yl)pyridin-4-yloxy)phenyl)urea DECIPHERA PHARMACEUTICALS, LLC (US) 2012-03-27 US disclosed
US-20110189167-A1 Methods and Compositions for the Treatment of Myeloproliferative Diseases and other Proliferative Diseases DECIPHERA PHARMACEUTICALS, LLC 2011-08-04 US disclosed
US-20080261965-A1 KINASE INHIBITORS USEFUL FOR THE TREATMENT OF MYLEOPROLIFIC DISEASES AND OTHER PROLIFERATIVE DISEASES DECIPHERA PHARMACEUTICALS, LLC (US) 2008-10-23 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-20110189167-A1 Methods and Compositions for the Treatment of Myeloproliferative Diseases and other Proliferative Diseases MCL1, NRAS, ABL1 ABL1 3/4885MAPK14 207/4885MAPK13 290/4885
US-20080261965-A1 KINASE INHIBITORS USEFUL FOR THE TREATMENT OF MYLEOPROLIFIC DISEASES AND OTHER PROLIFERATIVE DISEASES KIT, PRKACA, BRAF ABL1 30/4885MAPK14 264/4885MAPK13 158/4885

“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.