SCHEMBL574238

SCHEMBL574238

O=C(Nc1cc(Cl)cc(N2CCOCC2)c1)Nc1cc(Oc2cccc(-c3cn[nH]c3)n2)ccc1F

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 1/20 0.44
IRAK4 Q9NWZ3 3/20 0.43
KDR P35968 3/20 0.41
BRAF P15056 3/20 0.41
LCK P06239 2/20 0.40
CSF1R P07333 1/20 0.40
FLT3 P36888 1/20 0.38
RAF1 P04049 1/20 0.38
CNR1 P21554 1/20 0.38
MET P08581 2/20 0.38
RIPK1 Q13546 1/20 0.37
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PIK3CA P42336 1/20 0.36
MTOR P42345 1/20 0.36
PIK3CG P48736 1/20 0.36
ROCK2 O75116 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
SCHEMBL572653 0.93 CNR1 (0.45) IRAK4KDRCNR1RIPK1
SCHEMBL574080 0.93 NTRK1 (0.52) NTRK1IRAK4KDRBRAFLCK
SCHEMBL574209 0.93 CNR1 (0.44) IRAK4KDRCNR1RIPK1
SCHEMBL573612 0.92 KDR (0.51) NTRK1IRAK4KDRBRAFRAF1
SCHEMBL573479 0.91 FGFR3 (0.39) IRAK4KDRBRAFCNR1MET
SCHEMBL3805067 0.91 CNR1 (0.46) NTRK1IRAK4KDRCNR1RIPK1
SCHEMBL574358 0.88 IRAK4 (0.37) IRAK4KDRCNR1RIPK1ROCK2
SCHEMBL574365 0.88 NTRK1 (0.45) NTRK1IRAK4KDRBRAFLCK
SCHEMBL574318 0.87 KDR (0.49) KDRBRAFRAF1
SCHEMBL574212 0.86 CNR1 (0.44) IRAK4KDRCNR1RIPK1MAPT

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 1105/4885IRAK4 1542/4885KDR 2434/4885
US-20080261965-A1 KINASE INHIBITORS USEFUL FOR THE TREATMENT OF MYLEOPROLIFIC DISEASES AND OTHER PROLIFERATIVE DISEASES KIT, PRKACA, BRAF NTRK1 211/4885IRAK4 501/4885KDR 239/4885

“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.