SCHEMBL573353

SCHEMBL573353

Cn1cc(-c2cc(Oc3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4)cc3)ccn2)cn1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 13/20 0.74
NTRK1 P04629 2/20 0.65
RAF1 P04049 2/20 0.65
MAPK14 Q16539 5/20 0.62
TNNI3K Q59H18 5/20 0.62
PLK4 O00444 2/20 0.62
AURKA O14965 2/20 0.62
JAK2 O60674 2/20 0.62
MAP4K4 O95819 2/20 0.62
ABL1 P00519 2/20 0.62
LCK P06239 2/20 0.62
FYN P06241 2/20 0.62
LYN P07948 2/20 0.62
SRC P12931 2/20 0.62
EPHA2 P29317 2/20 0.62
AXL P30530 2/20 0.62
FRK P42685 2/20 0.62
SYK P43405 2/20 0.62
BLK P51451 2/20 0.62
TYRO3 Q06418 2/20 0.62

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
SCHEMBL573247 0.91 KDR (0.63) KDRNTRK1RAF1MAPK14TNNI3K
SCHEMBL573269 0.90 KDR (0.72) KDRNTRK1RAF1MAPK14TNNI3K
SCHEMBL16507489 0.86 NTRK1 (0.66) KDRNTRK1RAF1MAPK14TNNI3K
SCHEMBL5441873 0.86 NTRK1 (0.61) KDRNTRK1RAF1AXLBRAF
SCHEMBL17179246 0.85 KDR (1.00) KDRNTRK1RAF1MAPK14TNNI3K
SCHEMBL27849450 0.85 KDR (0.73) KDRNTRK1RAF1AXLCSF1R
SCHEMBL28793967 0.84 KDR (0.72) KDRNTRK1RETCDK8CSF1R
SCHEMBL5345816 0.84 KDR (0.65) KDRNTRK1MAPK14TNNI3KPLK4
SCHEMBL27866387 0.84 KDR (0.67) KDRBRAFCSF1RMETFLT3
SCHEMBL27864410 0.84 KDR (0.72) KDRNTRK1RAF1RETBRAF

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 6 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
EP-2146716-A1 KINASE INHIBITORS USEFUL FOR THE TREATMENT OF MYLEOPROLIFERATIVE DISEASES AND OTHER PROLIFERATIVE DISEASES Deciphera Pharmaceuticals, LLC. (US) 2010-01-27 EP disclosed
WO-2008131227-A1 KINASE INHIBITORS USEFUL FOR THE TREATMENT OF MYLEOPROLIFERATIVE DISEASES AND OTHER PROLIFERATIVE DISEASES DECIPHERA PHARMACEUTICALS, LLC (US) 2008-10-30 WO 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 2434/4885NTRK1 1105/4885RAF1 17/4885
US-20080261965-A1 KINASE INHIBITORS USEFUL FOR THE TREATMENT OF MYLEOPROLIFIC DISEASES AND OTHER PROLIFERATIVE DISEASES KIT, PRKACA, BRAF KDR 239/4885NTRK1 211/4885RAF1 22/4885

“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.