SCHEMBL4196519

SCHEMBL4196519

O=C(Nc1cccc(-c2ncnc3sc(-c4ccncc4)cc23)c1)Nc1ccc(Cl)c(C(F)(F)F)c1

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BRAF P15056 11/20 0.65
BLM P54132 1/20 0.58
EPHB4 P54760 2/20 0.50
FLT4 P35916 1/20 0.49
BTK Q06187 1/20 0.49
MELK Q14680 1/20 0.49
MINK1 Q8N4C8 1/20 0.49
KDR P35968 2/20 0.48
RIPK1 Q13546 1/20 0.48
MAPK14 Q16539 1/20 0.48
RAF1 P04049 1/20 0.47
TP53 P04637 1/20 0.47
MAPT P10636 1/20 0.47

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
SCHEMBL3977510 0.90 BRAF (0.66) BRAFBLMEPHB4FLT4KDR
SCHEMBL4199752 0.87 BRAF (0.82) BRAFKDRMAPK14MAPT
SCHEMBL4198556 0.86 CNR1 (0.62) BRAFBLMMAPT
SCHEMBL4188384 0.85 BRAF (0.63) BRAFKDRMAPT
SCHEMBL4195622 0.84 BRAF (0.59) BRAFBLMEPHB4FLT4BTK
SCHEMBL4188391 0.82 BRAF (0.61) BRAFBLMFLT4MELKKDR
SCHEMBL4198743 0.80 BRAF (0.72) BRAFMAPK14MAPT
SCHEMBL3978525 0.79 BRAF (1.00) BRAFKDRMAPT
SCHEMBL4195978 0.78 BRAF (0.76) BRAFKDR
SCHEMBL12684804 0.76 BLM (0.58) BRAFBLMEPHB4KDRMAPK14

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-20090118276-A1 THIENOPYRIMIDINES, THIENOPYRIDINES, AND PYRROLOPYRIMIDINES AS B-RAF INHIBITORS WYETH (US) 2009-05-07 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-20090118276-A1 THIENOPYRIMIDINES, THIENOPYRIDINES, AND PYRROLOPYRIMIDINES AS B-RAF INHIBITORS BRAF, ARAF, RAF1 BRAF 1/4885BLM 2054/4885EPHB4 1457/4885

“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.