SCHEMBL4192912

SCHEMBL4192912

CN(C)C(=O)c1ccc(-c2cc3c(-c4cccc(NC(=O)c5cccc(C(F)(F)F)c5)c4)ncnc3s2)cc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 7/20 0.77
KDR P35968 2/20 0.49
PDGFRB P09619 1/20 0.49
TEK Q02763 1/20 0.46
MEN1 O00255 1/20 0.46
HTT P42858 1/20 0.46
RAB9A P51151 1/20 0.46
KMT2A Q03164 1/20 0.46
TRPV1 Q8NER1 1/20 0.45
KCNK3 O14649 2/20 0.45
KCNK9 Q9NPC2 1/20 0.45
MAPT P10636 1/20 0.44
LMNA P02545 1/20 0.44
ABL1 P00519 1/20 0.43
BCR P11274 1/20 0.43
PTGS1 P23219 1/20 0.43
MAP3K5 Q99683 1/20 0.43
RAF1 P04049 1/20 0.43
MAPK14 Q16539 1/20 0.43
LCK P06239 1/20 0.43

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
SCHEMBL4190532 0.96 BRAF (0.79) BRAFKDRPDGFRBTEKMEN1
SCHEMBL4205684 0.90 BRAF (0.88) BRAFKDRPDGFRBTEKMEN1
SCHEMBL3978525 0.87 BRAF (1.00) BRAFKDRPDGFRBTEKMEN1
SCHEMBL4200345 0.86 BRAF (1.00) BRAFKDRPDGFRBTEKMEN1
SCHEMBL4195742 0.85 BRAF (0.81) BRAFKDRPDGFRBTEKMEN1
SCHEMBL3976206 0.84 BRAF (0.84) BRAFKDRPDGFRBTEKKCNK3
SCHEMBL3982001 0.81 BRAF (0.73) BRAFKDRPDGFRBTEKMEN1
SCHEMBL3980014 0.81 BRAF (0.73) BRAFKDRPDGFRBTEKMEN1
SCHEMBL4193600 0.79 BRAF (0.70) BRAFKDRPDGFRBTEKMEN1
SCHEMBL3979141 0.79 BRAF (0.68) BRAFKDRPDGFRBMEN1HTT

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 1/4885KDR 616/4885PDGFRB 512/4885

“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.