SCHEMBL5107258

SCHEMBL5107258

COc1cc(C(=O)C(CC(=O)c2ccc(OCCN(C)C)cc2)c2ccncc2)ccc1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.43
DRD3 P35462 2/20 0.43
HRH3 Q9Y5N1 2/20 0.43
LMNA P02545 1/20 0.41
ACHE P22303 1/20 0.41
SLC6A2 P23975 1/20 0.41
CYP2C19 P33261 1/20 0.41
KCNH2 Q12809 1/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GBA1 P04062 4/20 0.40
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 2/20 0.40
BRAF P15056 2/20 0.39
ESR1 P03372 1/20 0.38
ESRRB O95718 1/20 0.37
PAICS P22234 1/20 0.37
THRA P10827 2/20 0.36
ABL1 P00519 1/20 0.36
BCR P11274 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
SCHEMBL5094267 0.92 GBA1 (0.41) DRD2DRD3HRH3LMNAACHE
SCHEMBL5107187 0.82 DRD2 (0.40) DRD2DRD3HRH3LMNAACHE
SCHEMBL6599449 0.79 BRAF (0.46) DRD2DRD3HRH3MAPK1GBA1
SCHEMBL5415972 0.79 BRAF (0.46) DRD2DRD3HRH3MAPK1GBA1
SCHEMBL5408934 0.74 BRAF (0.46) DRD2DRD3HRH3MAPK1GBA1
SCHEMBL5408938 0.74 BRAF (0.46) DRD2DRD3HRH3MAPK1GBA1
SCHEMBL4670551 0.73 PDE4D (0.35) LMNAALDH1A1
SCHEMBL6588914 0.71 BCHE (0.64) DRD2DRD3HRH3LMNAACHE
SCHEMBL28632245 0.67 DPP4 (0.52) SMN1; SMN2ALDH1A1
SCHEMBL9857644 0.66 GBA1 (0.60) DRD2DRD3HRH3LMNAACHE

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-7446106-B2 Pyridylfurans and pyrroles as Raf kinase inhibitors SMITHKLINE BEECHAM PLC (GB) 2008-11-04 US disclosed
US-20040198730-A1 Pyridylfurans and pyrroles as raf kinase inhibitors SMITHKLINE BEECHAM P.L.C. (GB) 2004-10-07 US disclosed
EP-1432699-A1 PYRIDYLFURANS AND PYRROLES AS RAF KINASE INHIBITORS SMITHKLINE BEECHAM PLC (GB) 2004-06-30 EP disclosed
WO-2003022832-A1 PYRIDYLFURANS AND PYRROLES AS RAF KINASE INHIBITORS SMITHKLINE BEECHAM P.L.C. (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-20040198730-A1 Pyridylfurans and pyrroles as raf kinase inhibitors BRAF, ARAF, RAF1 DRD2 4002/4885DRD3 3900/4885HRH3 2458/4885

“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.