SCHEMBL14033752

SCHEMBL14033752

Nc1ncc(-c2cccnc2)c2scc(-c3ccc4c(c3)CCN4)c12

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EPHB4 P54760 2/20 0.62
EIF2AK3 Q9NZJ5 2/20 0.57
LCK P06239 1/20 0.57
AURKB Q96GD4 1/20 0.57
EIF2AK1 Q9BQI3 1/20 0.57
BRAF P15056 15/20 0.55
CYP3A4 P08684 1/20 0.51
KDR P35968 1/20 0.51

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
SCHEMBL3529482 0.81 KDR (0.54) LCKAURKBCYP3A4KDR
SCHEMBL5109039 0.80 EPHB4 (0.69) EPHB4BRAFCYP3A4KDR
SCHEMBL3534404 0.79 KDR (0.45) EPHB4EIF2AK3LCKAURKBCYP3A4
SCHEMBL3530501 0.79 EPHB4 (0.69) EPHB4EIF2AK3LCKAURKBEIF2AK1
SCHEMBL27923236 0.79 EIF2AK3 (0.46) EPHB4EIF2AK3LCKAURKBEIF2AK1
SCHEMBL27640679 0.77 KDR (0.42) EPHB4EIF2AK3LCKAURKBEIF2AK1
SCHEMBL4474048 0.76 EPHB4 (1.00) EPHB4BRAFCYP3A4KDR
SCHEMBL868508 0.75 KDR (0.58) EPHB4EIF2AK3LCKAURKBEIF2AK1
SCHEMBL3528888 0.75 LCK (0.66) EIF2AK3LCKAURKBEIF2AK1KDR
SCHEMBL3528886 0.75 LCK (0.66) EIF2AK3LCKAURKBEIF2AK1KDR

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 1 patent. 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 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 EPHB4 651/4885EIF2AK3 1844/4885LCK 132/4885

“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.