SCHEMBL5102176

SCHEMBL5102176

COc1cccc(NC(=O)Nc2cccc(-c3csc4c(-c5cccnc5)cnc(N)c34)c2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BRAF P15056 18/20 1.00
KDR P35968 2/20 0.71
CYP3A4 P08684 1/20 0.71

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
SCHEMBL5101962 0.89 BRAF (1.00) BRAFKDRCYP3A4
SCHEMBL4819011 0.85 BRAF (1.00) BRAFKDRCYP3A4
SCHEMBL14033895 0.83 BRAF (1.00) BRAFKDRCYP3A4
SCHEMBL5108291 0.83 BRAF (1.00) BRAFKDRCYP3A4
SCHEMBL14033746 0.83 BRAF (0.76) BRAFKDRCYP3A4
SCHEMBL233442 0.83 KDR (1.00) BRAFKDRCYP3A4
SCHEMBL4697938 0.82 BRAF (1.00) BRAFKDRCYP3A4
SCHEMBL5098603 0.82 BRAF (1.00) BRAFKDRCYP3A4
SCHEMBL1694775 0.82 KDR (0.97) BRAFKDRCYP3A4
SCHEMBL4697148 0.82 BRAF (1.00) BRAFKDRCYP3A4

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-20080255184-A1 Thienopyridine B-Raf Kinase Inhibitors SMITHKLINE BEECHAM CORPORATION 2008-10-16 US claimed
US-20080255184-A1 Thienopyridine B-Raf Kinase Inhibitors SMITHKLINE BEECHAM CORPORATION 2008-10-16 US disclosed
US-20080255184-A1 Thienopyridine B-Raf Kinase Inhibitors SMITHKLINE BEECHAM CORPORATION 2008-10-16 US disclosed
WO-2007056625-A2 THIENOPYRIDINE B-RAF KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2007-05-18 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-20080255184-A1 Thienopyridine B-Raf Kinase Inhibitors BRAF, RAF1, ARAF BRAF 1/4885KDR 423/4885CYP3A4 1249/4885

“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.