SCHEMBL826835

SCHEMBL826835

CC(C)(C)c1cncc(NC(=O)Nc2ccc(Oc3ccnc(-c4cnn(CCCO)c4)c3)cc2F)c1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDR P35968 11/20 0.52
MAPK14 Q16539 6/20 0.45
MAPK13 O15264 2/20 0.43
BRAF P15056 3/20 0.42
ABL1 P00519 1/20 0.42
CSF1R P07333 1/20 0.42
MET P08581 1/20 0.42
PDGFRB P09619 1/20 0.42
PDGFRA P16234 1/20 0.42
FLT3 P36888 1/20 0.42
FLT1 P17948 2/20 0.42
AXL P30530 1/20 0.42

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
SCHEMBL574452 0.96 KDR (0.54) KDRMAPK14MAPK13BRAFABL1
SCHEMBL573017 0.91 KDR (0.54) KDRMAPK14MAPK13BRAFABL1
SCHEMBL827922 0.91 KDR (0.51) KDRMAPK14MAPK13BRAFABL1
SCHEMBL574737 0.90 KDR (0.60) KDRBRAFABL1CSF1RMET
SCHEMBL573781 0.89 KDR (0.52) KDRMAPK14MAPK13BRAFABL1
SCHEMBL573625 0.89 KDR (0.58) KDRMAPK14MAPK13BRAFABL1
SCHEMBL828453 0.88 KDR (0.52) KDRMAPK14MAPK13BRAFABL1
SCHEMBL574244 0.88 AXL (0.45) KDRMAPK14CSF1RMETPDGFRB
SCHEMBL828192 0.88 KDR (0.51) KDRMAPK14MAPK13BRAFCSF1R
SCHEMBL3796780 0.87 KDR (0.51) KDRMAPK14BRAFCSF1RMET

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 KDR 2434/4885MAPK14 207/4885MAPK13 290/4885
US-20080261965-A1 KINASE INHIBITORS USEFUL FOR THE TREATMENT OF MYLEOPROLIFIC DISEASES AND OTHER PROLIFERATIVE DISEASES KIT, PRKACA, BRAF KDR 239/4885MAPK14 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.