SCHEMBL574285

SCHEMBL574285

CN(C)CCn1cc(-c2cc(Oc3ccc(NC(=O)Nc4cc(C(C)(C)C)no4)c(F)c3)ccn2)cn1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 11/20 0.59
MAPK13 O15264 3/20 0.59
ABL1 P00519 1/20 0.46
RAF1 P04049 1/20 0.44
KDR P35968 5/20 0.42
NTRK1 P04629 1/20 0.42
RET P07949 1/20 0.42
EPHB2 P29323 1/20 0.42
AXL P30530 1/20 0.42
BRAF P15056 1/20 0.41
CSF1R P07333 1/20 0.39
MET P08581 1/20 0.39
PDGFRB P09619 1/20 0.39
PDGFRA P16234 1/20 0.39
FLT3 P36888 1/20 0.39

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
SCHEMBL574062 0.93 MAPK14 (0.63) MAPK14MAPK13ABL1RAF1KDR
SCHEMBL574081 0.91 MAPK14 (0.64) MAPK14MAPK13ABL1RAF1KDR
SCHEMBL574510 0.89 MAPK14 (0.61) MAPK14MAPK13ABL1RAF1KDR
SCHEMBL574334 0.88 MAPK14 (0.57) MAPK14MAPK13ABL1RAF1KDR
SCHEMBL572748 0.88 MAPK14 (0.66) MAPK14MAPK13ABL1RAF1KDR
SCHEMBL827384 0.88 MAPK14 (0.60) MAPK14MAPK13ABL1RAF1KDR
SCHEMBL574179 0.88 MAPK14 (0.63) MAPK14MAPK13ABL1RAF1KDR
SCHEMBL827922 0.84 KDR (0.51) MAPK14MAPK13ABL1KDRAXL
SCHEMBL574327 0.83 KDR (0.47) MAPK14MAPK13ABL1RAF1KDR
SCHEMBL828374 0.83 MAPK14 (0.46) MAPK14MAPK13ABL1KDRAXL

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 290/4885ABL1 3/4885
US-20080261965-A1 KINASE INHIBITORS USEFUL FOR THE TREATMENT OF MYLEOPROLIFIC DISEASES AND OTHER PROLIFERATIVE DISEASES KIT, PRKACA, BRAF MAPK14 264/4885MAPK13 158/4885ABL1 30/4885

“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.