SCHEMBL3979141

SCHEMBL3979141

CCOC(=O)c1cc2c(-c3cccc(NC(=O)c4cccc(C(F)(F)F)c4)c3)ncnc2s1

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BRAF P15056 7/20 0.68
ABL1 P00519 1/20 0.54
BCR P11274 1/20 0.54
KDR P35968 2/20 0.49
PDGFRB P09619 1/20 0.49
MEN1 O00255 1/20 0.48
HTT P42858 1/20 0.48
RAB9A P51151 1/20 0.48
KMT2A Q03164 1/20 0.48
KCNK3 O14649 2/20 0.48
KCNK9 Q9NPC2 1/20 0.48
MAPT P10636 4/20 0.46
TP53 P04637 2/20 0.46
TRPV1 Q8NER1 1/20 0.46
SYK P43405 1/20 0.45
LMNA P02545 1/20 0.44

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
SCHEMBL3980014 0.87 BRAF (0.73) BRAFABL1BCRKDRPDGFRB
SCHEMBL4205684 0.83 BRAF (0.88) BRAFKDRPDGFRBMEN1HTT
SCHEMBL3982001 0.82 BRAF (0.73) BRAFKDRPDGFRBMEN1HTT
SCHEMBL3978525 0.81 BRAF (1.00) BRAFKDRPDGFRBMEN1HTT
SCHEMBL4190532 0.80 BRAF (0.79) BRAFABL1BCRKDRPDGFRB
SCHEMBL4200345 0.80 BRAF (1.00) BRAFABL1BCRKDRPDGFRB
SCHEMBL4194960 0.80 BRAF (0.70) BRAFKDRPDGFRBMEN1HTT
SCHEMBL4192912 0.79 BRAF (0.77) BRAFABL1BCRKDRPDGFRB
SCHEMBL4195742 0.79 BRAF (0.81) BRAFABL1KDRPDGFRBMEN1
SCHEMBL3976206 0.78 BRAF (0.84) BRAFKDRPDGFRBKCNK3MAPT

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 1/4885ABL1 104/4885BCR 453/4885

“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.