SCHEMBL3976693

SCHEMBL3976693

N#Cc1cnc2cc(-c3ccncc3)sc2c1-c1cccc(NC(=O)Nc2cccc(C(F)(F)F)c2)c1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 7/20 0.83
KDR P35968 5/20 0.46
MAPK14 Q16539 2/20 0.46
TNNI3K Q59H18 2/20 0.46
IDE P14735 1/20 0.46
MAPK1 P28482 1/20 0.46
MAPK10 P53779 1/20 0.46
BLM P54132 1/20 0.45
TRPV1 Q8NER1 1/20 0.44
EGFR P00533 1/20 0.43
FGFR1 P11362 1/20 0.43
TEK Q02763 1/20 0.43
CDK8 P49336 1/20 0.43
MAPT P10636 2/20 0.43
MEN1 O00255 1/20 0.43
HTT P42858 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43
TP53 P04637 1/20 0.42
GAA P10253 1/20 0.42

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
SCHEMBL4194851 0.95 BRAF (0.75) BRAFKDRMAPK14TNNI3KTRPV1
SCHEMBL3979778 0.91 BRAF (1.00) BRAFKDRIDEMAPK1MAPK10
SCHEMBL4199761 0.88 BRAF (0.69) BRAFKDRBLMFGFR1CDK8
SCHEMBL4205760 0.88 BRAF (0.68) BRAFKDRMAPK14BLMCDK8
SCHEMBL4195857 0.87 BRAF (0.66) BRAFKDRBLMMAPTMEN1
SCHEMBL4203385 0.86 BRAF (0.65) BRAFBLM
SCHEMBL4191033 0.85 BRAF (0.64) BRAFKDRBLMCDK8MAPT
SCHEMBL4205770 0.84 BRAF (0.62) BRAFKDRMAPK14BLMEGFR
SCHEMBL4190525 0.83 BRAF (0.61) BRAFKDRMAPK14BLMCDK8
SCHEMBL4204275 0.82 BRAF (0.59) BRAFKDRMAPTMEN1HTT

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 2 patents. 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
WO-2009059272-A1 THIENOPYRIMIDINES, THIENOPYRIDINES, AND PYRROLOPYRIMIDINES AS B-RAF INHIBITORS WYETH (US) 2009-05-07 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-20090118276-A1 THIENOPYRIMIDINES, THIENOPYRIDINES, AND PYRROLOPYRIMIDINES AS B-RAF INHIBITORS BRAF, ARAF, RAF1 BRAF 1/4885KDR 616/4885MAPK14 498/4885

“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.