SCHEMBL828077

SCHEMBL828077

Cc1cc(NC(=O)Nc2cc(Oc3cccc(-c4cnn(C)c4)n3)ccc2F)cc(N2CCN(C)CC2)c1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 3/20 0.46
NTRK1 P04629 2/20 0.45
KDR P35968 6/20 0.43
RET P07949 1/20 0.43
EPHB2 P29323 1/20 0.43
GSK3B P49841 3/20 0.40
DYRK1A Q13627 3/20 0.40
RIPK1 Q13546 1/20 0.39
RIPK3 Q9Y572 1/20 0.39
CTSC P53634 1/20 0.38
CNR1 P21554 1/20 0.38
BRAF P15056 1/20 0.38
AURKB Q96GD4 1/20 0.38
MET P08581 1/20 0.38
S1PR2 O95136 1/20 0.37
WNT1 P04628 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
SCHEMBL573816 0.95 NTRK1 (0.46) IRAK4NTRK1KDRRETEPHB2
SCHEMBL574253 0.94 NTRK1 (0.45) IRAK4NTRK1KDRRETEPHB2
SCHEMBL574391 0.93 IRAK4 (0.48) IRAK4NTRK1KDRRETEPHB2
SCHEMBL573164 0.93 NTRK1 (0.44) IRAK4NTRK1KDRRETEPHB2
SCHEMBL574065 0.91 NTRK1 (0.54) IRAK4NTRK1KDRRETEPHB2
SCHEMBL572717 0.90 NTRK1 (0.43) IRAK4NTRK1KDRRETEPHB2
SCHEMBL574121 0.89 KDR (0.42) IRAK4KDRRIPK1RIPK3CTSC
SCHEMBL574608 0.88 NTRK1 (0.46) IRAK4NTRK1KDRRETEPHB2
SCHEMBL573890 0.88 NTRK1 (0.43) IRAK4NTRK1KDRRETEPHB2
SCHEMBL574518 0.87 NTRK1 (0.46) IRAK4NTRK1KDRRETEPHB2

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 3 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
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 IRAK4 1542/4885NTRK1 1105/4885KDR 2434/4885
US-20080261965-A1 KINASE INHIBITORS USEFUL FOR THE TREATMENT OF MYLEOPROLIFIC DISEASES AND OTHER PROLIFERATIVE DISEASES KIT, PRKACA, BRAF IRAK4 501/4885NTRK1 211/4885KDR 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.