SCHEMBL572509

SCHEMBL572509

Cn1cc(-c2cc(Oc3ccc(NC(=O)Nc4cncc(C(F)(F)F)c4)c(F)c3)ccn2)cn1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDR P35968 17/20 0.64
NTRK1 P04629 1/20 0.53
AXL P30530 1/20 0.52
BRAF P15056 8/20 0.51
PDGFRB P09619 3/20 0.51
PDGFRA P16234 3/20 0.51
CSF1R P07333 2/20 0.51
MET P08581 2/20 0.51
FLT3 P36888 2/20 0.51
AURKA O14965 1/20 0.46
KIT P10721 1/20 0.46
FLT1 P17948 1/20 0.46
TEK Q02763 1/20 0.46
PTK2 Q05397 1/20 0.46

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
SCHEMBL573625 0.94 KDR (0.58) KDRNTRK1AXLBRAFPDGFRB
SCHEMBL573744 0.94 KDR (0.60) KDRNTRK1BRAFPDGFRBPDGFRA
SCHEMBL574550 0.93 KDR (0.58) KDRNTRK1AXLBRAFPDGFRB
SCHEMBL573269 0.91 KDR (0.72) KDRNTRK1AXLBRAFPDGFRB
SCHEMBL573978 0.91 KDR (0.56) KDRNTRK1AXLBRAFPDGFRB
SCHEMBL573247 0.90 KDR (0.63) KDRNTRK1AXLBRAFPDGFRB
SCHEMBL574069 0.90 KDR (0.57) KDRAXLPDGFRBPDGFRACSF1R
SCHEMBL574540 0.90 KDR (0.60) KDRBRAFPDGFRBPDGFRAFLT3
SCHEMBL574737 0.90 KDR (0.60) KDRAXLBRAFPDGFRBPDGFRA
SCHEMBL573578 0.89 KDR (0.56) KDRAXLPDGFRBPDGFRACSF1R

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 2434/4885NTRK1 1105/4885AXL 2089/4885
US-20080261965-A1 KINASE INHIBITORS USEFUL FOR THE TREATMENT OF MYLEOPROLIFIC DISEASES AND OTHER PROLIFERATIVE DISEASES KIT, PRKACA, BRAF KDR 239/4885NTRK1 211/4885AXL 338/4885

“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.