SCHEMBL18804584

SCHEMBL18804584

CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3cc(C(C)(C)C)nn3-c3ccc4ccccc4c3)c(F)c2)ccn1

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 12/20 0.86
MAPK14 Q16539 7/20 0.86
ABL1 P00519 3/20 0.86
RIPK1 Q13546 2/20 0.86
PLK4 O00444 1/20 0.86
ACOX3 O15254 1/20 0.86
MAP3K7 O43318 1/20 0.86
DYRK3 O43781 1/20 0.86
JAK2 O60674 1/20 0.86
ERN1 O75460 1/20 0.86
RPS6KA4 O75676 1/20 0.86
STK10 O94804 1/20 0.86
MAP4K4 O95819 1/20 0.86
RAF1 P04049 1/20 0.86
NTRK1 P04629 1/20 0.86
LCK P06239 1/20 0.86
FYN P06241 1/20 0.86
CDK1 P06493 1/20 0.86
FES P07332 1/20 0.86
CSF1R P07333 1/20 0.86

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
Rebastinib SCHEMBL2034290 0.93 BRAF (1.00) BRAFMAPK14ABL1RIPK1PLK4
Rebastinib SCHEMBL30499050 0.93 BRAF (1.00) BRAFMAPK14ABL1RIPK1PLK4
Rebastinib SCHEMBL29354367 0.93 BRAF (1.00) BRAFMAPK14ABL1RIPK1PLK4
Rebastinib SCHEMBL29733447 0.93 BRAF (1.00) BRAFMAPK14ABL1RIPK1PLK4
SCHEMBL31265677 0.92 ABL1 (0.79) BRAFMAPK14ABL1RIPK1PLK4
SCHEMBL2242285 0.92 ABL1 (0.79) BRAFMAPK14ABL1RIPK1PLK4
Rebastinib SCHEMBL29733460 0.92 BRAF (0.99) BRAFMAPK14ABL1RIPK1PLK4
Rebastinib SCHEMBL2026623 0.92 BRAF (0.99) BRAFMAPK14ABL1RIPK1PLK4
SCHEMBL5056329 0.92 BRAF (0.78) BRAFMAPK14ABL1RIPK1PLK4
SCHEMBL2243266 0.92 BRAF (0.80) BRAFMAPK14ABL1RIPK1PLK4

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-20170121321-A1 Proteolysis Targeting Chimera Compounds and Methods of Preparing and Using Same YALE UNIVERSITY 2017-05-04 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-20170121321-A1 Proteolysis Targeting Chimera Compounds and Methods of Preparing and Using Same NEDD4, MDM2, CBL BRAF 1517/4885MAPK14 2670/4885ABL1 28/4885

“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.