SCHEMBL5111565

SCHEMBL5111565

O=C1CCc2cc(-c3cc(C4CCCN(C(=O)OCc5ccccc5)C4)oc3-c3ccncc3)ccc21

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BRAF P15056 2/20 0.45
GRIN2B Q13224 5/20 0.42
CYP2D6 P10635 4/20 0.42
CYP2C9 P11712 4/20 0.42
JAK2 O60674 2/20 0.39
JAK1 P23458 2/20 0.39
TYK2 P29597 2/20 0.39
JAK3 P52333 2/20 0.39
PARP1 P09874 1/20 0.39
USP30 Q70CQ3 1/20 0.39
CYP3A4 P08684 3/20 0.38
GPR119 Q8TDV5 1/20 0.38
LCK P06239 2/20 0.38
ENPP2 Q13822 1/20 0.37
BCL9 O00512 1/20 0.36
CTNNB1 P35222 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
SCHEMBL5109890 0.83 BRAF (0.47) BRAF
SCHEMBL5106246 0.79 BRAF (0.51) BRAF
SCHEMBL5114990 0.79 BRAF (0.49) BRAF
SCHEMBL5204518 0.78 BRAF (0.65) BRAF
SCHEMBL5109849 0.75 BRAF (0.52) BRAFGPR119
SCHEMBL5115999 0.73 BRAF (0.60) BRAFJAK1
SCHEMBL5109313 0.72 BRAF (0.72) BRAF
SCHEMBL5106229 0.72 BRAF (0.61) BRAFJAK1
SCHEMBL14038734 0.71 BRAF (0.47) BRAF
SCHEMBL5109099 0.71 BRAF (0.58) BRAFJAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7452906-B2 Pyridine derivatives as Raf kinase inhibitors SMITHKLINE BEECHAM P.L.C. (GB) 2008-11-18 US disclosed
EP-1423384-B1 PYRIDINE DERIVATIVES AS RAF KINASE INHIBITORS SMITHKLINE BEECHAM PLC (GB) 2007-05-23 EP disclosed
US-20040235843-A1 Pyridine derivatives as raf kinase inhibitors SMITHKLINE BEECHAM P.L.C. (GB) 2004-11-25 US disclosed
EP-1423384-A1 PYRIDINE DERIVATIVES AS RAF KINASE INHIBITORS SMITHKLINE BEECHAM PLC (GB) 2004-06-02 EP disclosed
WO-2003022840-A1 PYRIDINE DERIVATIVES 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-20040235843-A1 Pyridine derivatives as raf kinase inhibitors BRAF, RAF1, ARAF BRAF 1/4885GRIN2B 1538/4885CYP2D6 3259/4885

“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.