SCHEMBL574498

SCHEMBL574498

Cc1cc(NC(=O)Nc2cc(Oc3cccc(-c4cn[nH]c4)n3)ccc2F)cc(-n2cnc(C)c2)c1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDR P35968 14/20 0.41
ABL1 P00519 3/20 0.41
LCK P06239 2/20 0.41
LYN P07948 2/20 0.41
PDGFRB P09619 2/20 0.41
KIT P10721 2/20 0.41
PDGFRA P16234 2/20 0.41
FLT3 P36888 2/20 0.41
DDR2 Q16832 2/20 0.41
BCR P11274 1/20 0.39
RIPK1 Q13546 2/20 0.38
RIPK3 Q9Y572 1/20 0.37
FLT1 P17948 1/20 0.37
RAF1 P04049 1/20 0.36

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
SCHEMBL827299 0.94 KDR (0.40) KDRABL1LCKLYNPDGFRB
SCHEMBL574280 0.93 KDR (0.44) KDRABL1LCKLYNPDGFRB
SCHEMBL573560 0.92 NR2E1 (0.47) KDRABL1LCKLYNPDGFRB
SCHEMBL574570 0.89 NTRK1 (0.44) KDRABL1LCKLYNPDGFRB
SCHEMBL574861 0.87 KDR (0.55) KDRFLT1
SCHEMBL574212 0.87 CNR1 (0.44) KDRRIPK1RIPK3
SCHEMBL574134 0.86 CNR1 (0.43) KDRRIPK1RIPK3
SCHEMBL574121 0.85 KDR (0.42) KDRRIPK1RIPK3
SCHEMBL573160 0.84 KDR (0.39) KDRPDGFRBRIPK1RIPK3FLT1
SCHEMBL574366 0.83 NTRK1 (0.44) KDRABL1LCKLYNPDGFRB

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 KDR 2434/4885ABL1 3/4885LCK 272/4885
US-20080261965-A1 KINASE INHIBITORS USEFUL FOR THE TREATMENT OF MYLEOPROLIFIC DISEASES AND OTHER PROLIFERATIVE DISEASES KIT, PRKACA, BRAF KDR 239/4885ABL1 30/4885LCK 83/4885

“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.