SCHEMBL574080

SCHEMBL574080

O=C(Nc1cccc(N2CCOCC2)c1)Nc1cc(Oc2cccc(-c3cn[nH]c3)n2)ccc1F

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 1/20 0.52
MET P08581 5/20 0.43
IRAK4 Q9NWZ3 2/20 0.42
RIPK1 Q13546 1/20 0.41
SETD2 Q9BYW2 1/20 0.41
MAPK14 Q16539 1/20 0.40
LCK P06239 2/20 0.40
KDR P35968 2/20 0.40
CSF1R P07333 1/20 0.40
FLT3 P36888 1/20 0.39
BRAF P15056 2/20 0.39
JAK2 O60674 1/20 0.38
MAP2K7 O14733 1/20 0.38

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
SCHEMBL574017 0.93 NTRK1 (0.43) NTRK1IRAK4RIPK1KDR
SCHEMBL574238 0.93 NTRK1 (0.44) NTRK1METIRAK4RIPK1LCK
SCHEMBL574276 0.92 NTRK1 (0.42) NTRK1IRAK4RIPK1KDR
SCHEMBL574231 0.91 MET (0.43) NTRK1METIRAK4RIPK1SETD2
SCHEMBL573612 0.90 KDR (0.51) NTRK1IRAK4RIPK1KDRBRAF
SCHEMBL3805067 0.89 CNR1 (0.46) NTRK1IRAK4RIPK1KDR
SCHEMBL573933 0.88 RIPK1 (0.40) NTRK1RIPK1KDRBRAF
SCHEMBL574242 0.88 KDR (0.53) NTRK1METRIPK1KDRBRAF
SCHEMBL573680 0.87 NTRK1 (0.49) NTRK1METIRAK4SETD2LCK
SCHEMBL572653 0.85 CNR1 (0.45) IRAK4RIPK1KDR

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 NTRK1 1105/4885MET 714/4885IRAK4 1542/4885
US-20080261965-A1 KINASE INHIBITORS USEFUL FOR THE TREATMENT OF MYLEOPROLIFIC DISEASES AND OTHER PROLIFERATIVE DISEASES KIT, PRKACA, BRAF NTRK1 211/4885MET 168/4885IRAK4 501/4885

“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.