SCHEMBL573247

SCHEMBL573247

Cn1cc(-c2cc(Oc3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4)c(F)c3)ccn2)cn1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 13/20 0.63
BRAF P15056 7/20 0.63
NTRK1 P04629 1/20 0.61
FLT1 P17948 3/20 0.57
PDGFRB P09619 2/20 0.57
PDGFRA P16234 2/20 0.57
AURKA O14965 2/20 0.57
KIT P10721 1/20 0.57
TEK Q02763 1/20 0.57
PTK2 Q05397 1/20 0.57
MAPK14 Q16539 2/20 0.56
TNNI3K Q59H18 2/20 0.56
RAF1 P04049 2/20 0.56
CSF1R P07333 1/20 0.52
MET P08581 1/20 0.52
FLT3 P36888 1/20 0.52
AXL P30530 2/20 0.52
PLK4 O00444 1/20 0.51
MAPK13 O15264 1/20 0.51
JAK2 O60674 1/20 0.51

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
SCHEMBL573848 0.94 KDR (0.58) KDRBRAFNTRK1FLT1PDGFRB
SCHEMBL573353 0.91 KDR (0.74) KDRBRAFNTRK1FLT1PDGFRB
SCHEMBL572509 0.90 KDR (0.64) KDRBRAFNTRK1FLT1PDGFRB
SCHEMBL573585 0.90 KDR (0.59) KDRBRAFFLT1PDGFRBPDGFRA
SCHEMBL574507 0.89 BRAF (0.61) KDRBRAFAXL
SCHEMBL573441 0.89 KDR (0.58) KDRBRAFPDGFRBPDGFRAMAPK14
SCHEMBL3808802 0.88 KDR (0.56) KDRBRAFNTRK1FLT1PDGFRB
SCHEMBL574339 0.87 KDR (0.56) KDRBRAFFLT1PDGFRBPDGFRA
SCHEMBL5447211 0.87 NTRK1 (0.60) KDRBRAFNTRK1FLT1PDGFRB
SCHEMBL573663 0.86 KDR (0.55) KDRBRAFFLT1PDGFRBPDGFRA

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 7 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 claimed
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 2434/4885BRAF 12/4885NTRK1 1105/4885
US-20080261965-A1 KINASE INHIBITORS USEFUL FOR THE TREATMENT OF MYLEOPROLIFIC DISEASES AND OTHER PROLIFERATIVE DISEASES KIT, PRKACA, BRAF KDR 239/4885BRAF 3/4885NTRK1 211/4885

“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.