SCHEMBL4458060

SCHEMBL4458060

[NH]C(=O)CC(c1cc(Oc2ccc(NC(=O)Nc3ccc(Br)c(C(F)(F)F)c3)cc2)ccn1)N1CCOCC1

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 11/20 0.62
SRC P12931 2/20 0.46
KDR P35968 5/20 0.45
BRAF P15056 3/20 0.44
MAPK14 Q16539 1/20 0.44
RET P07949 1/20 0.44

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
SCHEMBL937761 0.92 RAF1 (0.62) RAF1SRCKDRBRAFMAPK14
SCHEMBL936932 0.83 RAF1 (0.64) RAF1SRCKDRBRAFMAPK14
SCHEMBL937760 0.75 RAF1 (0.68) RAF1SRCKDRBRAFMAPK14
SCHEMBL548328 0.74 RAF1 (0.79) RAF1SRCKDRBRAFMAPK14
SCHEMBL3181311 0.73 RAF1 (0.70) RAF1SRCKDRBRAFMAPK14
SCHEMBL2478377 0.71 RAF1 (0.86) RAF1SRCKDRBRAFMAPK14
SCHEMBL940018 0.71 RAF1 (1.00) RAF1SRCKDRBRAFMAPK14
SCHEMBL549001 0.71 RAF1 (1.00) RAF1SRCKDRBRAFMAPK14
SCHEMBL6127281 0.70 RAF1 (0.68) RAF1SRCKDRBRAFMAPK14
SCHEMBL3166786 0.70 RAF1 (0.62) RAF1SRCKDRBRAFMAPK14

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090068146-A1 DIARYL UREAS AND COMBINATIONS BAYER PHARMACEUTICALS CORPORATION 2009-03-12 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-20090068146-A1 DIARYL UREAS AND COMBINATIONS NR4A1, NAP1L4, NR4A3 RAF1 4118/4885SRC 3666/4885KDR 2385/4885

“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.