SCHEMBL574094

SCHEMBL574094

Cn1nc(C(C)(C)C)cc1NC(=O)Nc1ccc(Oc2ccnc(-c3cnn(CCCO)c3)c2)c(F)c1F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 5/20 0.49
MAPK13 O15264 2/20 0.49
BRAF P15056 6/20 0.48
ABL1 P00519 1/20 0.48
AXL P30530 1/20 0.43
CSF1R P07333 4/20 0.43
MAPK12 P53778 3/20 0.42
SRC P12931 2/20 0.42
GSK3A P49840 2/20 0.42
PDGFRB P09619 3/20 0.41
PDGFRA P16234 3/20 0.41
MET P08581 2/20 0.41
FLT3 P36888 2/20 0.41
RAF1 P04049 1/20 0.41
NTRK1 P04629 1/20 0.41
RET P07949 1/20 0.41
EPHB2 P29323 1/20 0.41
KDR P35968 1/20 0.41
CYP2C9 P11712 1/20 0.41
HCK P08631 1/20 0.40

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
SCHEMBL574635 0.96 MAPK14 (0.51) MAPK14MAPK13BRAFABL1AXL
SCHEMBL574527 0.93 MAPK14 (0.48) MAPK14MAPK13BRAFABL1AXL
SCHEMBL828915 0.92 ABL1 (0.48) MAPK14MAPK13BRAFABL1AXL
SCHEMBL828528 0.91 MAPK14 (0.49) MAPK14MAPK13BRAFABL1AXL
SCHEMBL828037 0.91 ABL1 (0.50) MAPK14MAPK13BRAFABL1AXL
SCHEMBL574170 0.89 MAPK14 (0.54) MAPK14MAPK13BRAFABL1AXL
SCHEMBL827920 0.86 MAPK14 (0.65) MAPK14MAPK13BRAFABL1AXL
SCHEMBL828634 0.85 MAPK13 (0.51) MAPK14MAPK13BRAFABL1AXL
SCHEMBL828171 0.85 CSF1R (0.52) MAPK14MAPK13BRAFABL1AXL
SCHEMBL573795 0.83 MAPK13 (0.53) MAPK14MAPK13BRAFABL1AXL

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 4 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
WO-2012019015-A2 METHODS AND COMPOSITIONS FOR THE TREATMENT OF MYELOPROLIFERATIVE DISEASES AND OTHER PROLIFERATIVE DISEASES DECIPHERA PHARMACEUTICALS, LLC (US) 2012-02-09 WO 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 MAPK14 207/4885MAPK13 290/4885BRAF 12/4885
US-20080261965-A1 KINASE INHIBITORS USEFUL FOR THE TREATMENT OF MYLEOPROLIFIC DISEASES AND OTHER PROLIFERATIVE DISEASES KIT, PRKACA, BRAF MAPK14 264/4885MAPK13 158/4885BRAF 3/4885

“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.