SCHEMBL827574

SCHEMBL827574

CN1CCN(c2cccc(NC(=O)Nc3cc(Oc4cccc(-c5cn[nH]c5)n4)ccc3F)c2)CC1.Cn1cc(-c2cccc(Oc3ccc(F)c(NC(=O)Nc4cc(N5CCCCC5)cc(C(F)(F)F)c4)c3)n2)cn1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 3/20 0.48
KDR P35968 12/20 0.43
GSK3B P49841 1/20 0.40
DYRK1A Q13627 1/20 0.40
RIPK1 Q13546 1/20 0.40
RET P07949 1/20 0.39
EPHB2 P29323 1/20 0.39
IRAK4 Q9NWZ3 1/20 0.39
TEK Q02763 4/20 0.38
BRAF P15056 2/20 0.38
MAPK14 Q16539 1/20 0.36
TNNI3K Q59H18 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
SCHEMBL574207 0.91 KDR (0.45) NTRK1KDRRIPK1TEKBRAF
SCHEMBL574065 0.90 NTRK1 (0.54) NTRK1KDRRETEPHB2IRAK4
SCHEMBL574328 0.90 NTRK1 (0.54) NTRK1KDRRETEPHB2TEK
SCHEMBL827575 0.90 NTRK1 (0.43) NTRK1KDRGSK3BDYRK1ARET
SCHEMBL574211 0.90 NTRK1 (0.55) NTRK1KDRRETEPHB2TEK
SCHEMBL573369 0.90 KDR (0.49) NTRK1KDRRIPK1TEKBRAF
SCHEMBL573650 0.89 KDR (0.49) NTRK1KDRRIPK1TEKBRAF
SCHEMBL574231 0.87 MET (0.43) NTRK1KDRGSK3BDYRK1ARIPK1
SCHEMBL574093 0.86 NTRK1 (0.51) NTRK1KDRGSK3BDYRK1ARET
SCHEMBL574276 0.86 NTRK1 (0.42) NTRK1KDRRIPK1IRAK4

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 2 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-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 (1 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-20080261965-A1 KINASE INHIBITORS USEFUL FOR THE TREATMENT OF MYLEOPROLIFIC DISEASES AND OTHER PROLIFERATIVE DISEASES KIT, PRKACA, BRAF NTRK1 211/4885KDR 239/4885GSK3B 1818/4885

“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.