SCHEMBL574366

SCHEMBL574366

Cc1cn(-c2cc(Cl)cc(NC(=O)Nc3cc(Oc4cccc(-c5cnn(C)c5)n4)ccc3F)c2)cn1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 2/20 0.44
KDR P35968 10/20 0.43
RET P07949 1/20 0.40
EPHB2 P29323 1/20 0.40
AURKB Q96GD4 3/20 0.40
AURKA O14965 1/20 0.40
IRAK4 Q9NWZ3 1/20 0.40
ABL1 P00519 2/20 0.39
BCR P11274 1/20 0.39
NR2E1 Q9Y466 2/20 0.38
PDGFRB P09619 2/20 0.37
PDGFRA P16234 2/20 0.37
FLT3 P36888 2/20 0.37
CSF1R P07333 1/20 0.37
MET P08581 1/20 0.37
LCK P06239 1/20 0.37
LYN P07948 1/20 0.37
KIT P10721 1/20 0.37
DDR2 Q16832 1/20 0.37

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
SCHEMBL574570 0.94 NTRK1 (0.44) NTRK1KDRRETEPHB2AURKB
SCHEMBL573519 0.93 NTRK1 (0.49) NTRK1KDRRETEPHB2AURKB
SCHEMBL827379 0.92 NTRK1 (0.52) NTRK1KDRRETEPHB2ABL1
SCHEMBL827299 0.89 KDR (0.40) KDRIRAK4ABL1BCRNR2E1
SCHEMBL573871 0.88 KDR (0.54) KDRPDGFRBPDGFRAFLT3CSF1R
SCHEMBL574608 0.87 NTRK1 (0.46) NTRK1KDRRETEPHB2AURKB
SCHEMBL574391 0.86 IRAK4 (0.48) NTRK1KDRRETEPHB2AURKB
SCHEMBL574518 0.86 NTRK1 (0.46) NTRK1KDRRETEPHB2AURKB
SCHEMBL574365 0.85 NTRK1 (0.45) NTRK1KDRRETEPHB2AURKB
SCHEMBL827020 0.84 NTRK1 (0.44) NTRK1KDRRETEPHB2AURKB

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 NTRK1 1105/4885KDR 2434/4885RET 190/4885
US-20080261965-A1 KINASE INHIBITORS USEFUL FOR THE TREATMENT OF MYLEOPROLIFIC DISEASES AND OTHER PROLIFERATIVE DISEASES KIT, PRKACA, BRAF NTRK1 211/4885KDR 239/4885RET 4/4885

“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.