SCHEMBL5408934

SCHEMBL5408934

CO/N=C1/CCc2cc(C(CC(=O)c3ccc(OCCN(C)C)cc3)C(=O)c3ccncc3)ccc21

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BRAF P15056 8/20 0.46
RAF1 P04049 1/20 0.44
GBA1 P04062 4/20 0.40
MCHR1 Q99705 2/20 0.36
DRD2 P14416 1/20 0.34
DRD3 P35462 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
NPC1 O15118 1/20 0.34
MAPT P10636 1/20 0.34
NFKB1 P19838 1/20 0.34
RAB9A P51151 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
ESRRB O95718 1/20 0.34
CACNA1B Q00975 1/20 0.33
MAPK3 P27361 1/20 0.33
MAPK1 P28482 1/20 0.33
THRA P10827 1/20 0.33

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
SCHEMBL5408938 1.00 BRAF (0.46) BRAFRAF1GBA1MCHR1DRD2
SCHEMBL6599449 0.93 BRAF (0.46) BRAFRAF1GBA1MCHR1DRD2
SCHEMBL5415972 0.93 BRAF (0.46) BRAFRAF1GBA1MCHR1DRD2
SCHEMBL6606901 0.88 MAPT (0.42) NPC1MAPTNFKB1RAB9ANFKB2
SCHEMBL6606892 0.88 MAPT (0.42) NPC1MAPTNFKB1RAB9ANFKB2
SCHEMBL5412374 0.81 NPC1 (0.32) NPC1MAPTNFKB1RAB9ANFKB2
SCHEMBL5412381 0.81 NPC1 (0.32) NPC1MAPTNFKB1RAB9ANFKB2
SCHEMBL5094267 0.78 GBA1 (0.41) BRAFGBA1DRD2DRD3HRH3
SCHEMBL5107258 0.74 DRD2 (0.43) BRAFGBA1DRD2DRD3HRH3
SCHEMBL5405919 0.73 BCHE (0.56) HRH3MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7297694-B2 Pyridylfurans and pyrroles as Raf kinase inhibitors SMITHKLINE BEECHUM P.L.C. (GB) 2007-11-20 US disclosed
US-20040254186-A1 Pyridylfurans and pyrroles as raf kinase inhibitors SMITHKLINE BEECHAM P.L.C. (GB) 2004-12-16 US disclosed
EP-1432697-A1 PYRIDYLFURANS AND PYRROLES AS RAF KINASE INHIBITORS SMITHKLINE BEECHAM PLC (GB) 2004-06-30 EP disclosed
WO-2003022833-A1 PYRIDYLFURANS AND PYRROLES AS RAF KINASE INHIBITORS SMITHKLINE BEECHAM PLC (GB) 2003-03-20 WO 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-20040254186-A1 Pyridylfurans and pyrroles as raf kinase inhibitors BRAF, ARAF, RAF1 BRAF 1/4885RAF1 3/4885GBA1 4372/4885

“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.