SCHEMBL828531

SCHEMBL828531

Cc1cn(-c2cc(NC(=O)Nc3ccc(Oc4ccnc(-c5cn[nH]c5)c4)cc3F)cc(C(F)(F)F)c2)cn1.Cn1cc(-c2cc(Oc3ccc(NC(=O)Nc4cccc(N5CCCC5)c4)c(F)c3)ccn2)cn1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDR P35968 16/20 0.45
BRAF P15056 4/20 0.43
FLT1 P17948 2/20 0.43
NTRK1 P04629 1/20 0.41
RAF1 P04049 1/20 0.40
AXL P30530 1/20 0.40
NR2E1 Q9Y466 1/20 0.40

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
SCHEMBL828532 0.90 KDR (0.41) KDRBRAFNTRK1RAF1NR2E1
SCHEMBL826931 0.89 KDR (0.48) KDRBRAFNTRK1RAF1NR2E1
SCHEMBL828849 0.89 KDR (0.54) KDRBRAFAXLNR2E1
SCHEMBL574137 0.88 KDR (0.49) KDRBRAFFLT1RAF1NR2E1
SCHEMBL573559 0.86 KDR (0.56) KDRBRAFNTRK1AXL
SCHEMBL574063 0.85 KDR (0.55) KDRBRAFNTRK1AXL
SCHEMBL828747 0.85 KDR (0.53) KDRBRAFFLT1AXL
SCHEMBL572643 0.85 KDR (0.56) KDRBRAF
SCHEMBL574322 0.84 KDR (0.56) KDRBRAF
SCHEMBL574302 0.84 KDR (0.54) KDRFLT1

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 KDR 239/4885BRAF 3/4885FLT1 269/4885

“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.