SCHEMBL828916

SCHEMBL828916

COCCn1cc(-c2cc(Oc3ccc(NC(=O)N(c4cc(C(C)(C)C)nn4C)N(C(=O)Nc4ccc(Oc5ccnc(-c6cnn(CCO)c6)c5)c(F)c4F)c4cc(C(C)(C)C)nn4C)c(F)c3F)ccn2)cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AXL P30530 3/20 0.42
CSF1R P07333 9/20 0.40
PDGFRA P16234 6/20 0.38
PDGFRB P09619 5/20 0.38
FLT3 P36888 4/20 0.38
MET P08581 3/20 0.38
CYP2C9 P11712 1/20 0.37
KDR P35968 2/20 0.36
FGFR1 P11362 1/20 0.36
FGFR2 P21802 1/20 0.36
FGFR4 P22455 1/20 0.36
FGFR3 P22607 1/20 0.36
ABL1 P00519 1/20 0.36
SRC P12931 1/20 0.36
GSK3A P49840 1/20 0.36
MAPK12 P53778 1/20 0.36
IKBKE Q14164 3/20 0.35
TBK1 Q9UHD2 3/20 0.35
MAPK13 O15264 1/20 0.35
MAPK14 Q16539 1/20 0.35

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 0.89 ABL1 (0.48) AXLCSF1RPDGFRAPDGFRBFLT3
SCHEMBL828037 0.86 ABL1 (0.50) AXLCSF1RPDGFRAPDGFRBFLT3
SCHEMBL828635 0.84 AXL (0.49) AXLCSF1RPDGFRAPDGFRBFLT3
SCHEMBL574635 0.84 MAPK14 (0.51) AXLCSF1RPDGFRAPDGFRBFLT3
SCHEMBL574094 0.81 MAPK14 (0.49) AXLCSF1RPDGFRAPDGFRBFLT3
SCHEMBL828528 0.80 MAPK14 (0.49) AXLCSF1RPDGFRAPDGFRBFLT3
SCHEMBL574527 0.78 MAPK14 (0.48) AXLCSF1RPDGFRAPDGFRBFLT3
SCHEMBL2261028 0.76 AXL (0.46) AXLCSF1RPDGFRAPDGFRBFLT3
SCHEMBL2261031 0.76 AXL (0.41) AXLCSF1RPDGFRAPDGFRBFLT3
SCHEMBL574170 0.75 MAPK14 (0.54) AXLCSF1RPDGFRAPDGFRBFLT3

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 AXL 2089/4885CSF1R 1244/4885PDGFRA 618/4885
US-20080261965-A1 KINASE INHIBITORS USEFUL FOR THE TREATMENT OF MYLEOPROLIFIC DISEASES AND OTHER PROLIFERATIVE DISEASES KIT, PRKACA, BRAF AXL 338/4885CSF1R 197/4885PDGFRA 160/4885

“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.