SCHEMBL5103604

SCHEMBL5103604

N#CCN1CCCC(c2cc(-c3ccc4c(c3)CCC4=O)c(-c3ccncc3)o2)C1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BRAF P15056 5/20 0.47
HRH3 Q9Y5N1 10/20 0.40
CYP1A2 P05177 1/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
PGR P06401 1/20 0.34
MTOR P42345 2/20 0.33
KCNH2 Q12809 1/20 0.32

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
SCHEMBL5114990 0.88 BRAF (0.49) BRAFHRH3CYP1A2CYP11B1CYP11B2
SCHEMBL5204518 0.84 BRAF (0.65) BRAFHRH3CYP1A2CYP11B1CYP11B2
SCHEMBL5106246 0.84 BRAF (0.51) BRAFHRH3CYP1A2CYP11B1CYP11B2
SCHEMBL5109890 0.82 BRAF (0.47) BRAFHRH3CYP1A2CYP11B1CYP11B2
SCHEMBL5103170 0.80 BRAF (0.47) BRAFHRH3
SCHEMBL5118285 0.78 BRAF (0.59) BRAFCYP1A2CYP11B1CYP11B2
SCHEMBL5111565 0.77 BRAF (0.45) BRAF
SCHEMBL14038826 0.77 BRAF (0.51) BRAFHRH3
SCHEMBL5109313 0.77 BRAF (0.72) BRAFCYP1A2CYP11B1CYP11B2
SCHEMBL14038760 0.77 BRAF (0.49) BRAFHRH3

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 1/4885HRH3 658/4885CYP1A2 2558/4885

“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.