SCHEMBL4199752

SCHEMBL4199752

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

nearest known ligand 0.82

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BRAF P15056 8/20 0.82
TEK Q02763 5/20 0.53
KDR P35968 5/20 0.50
KIT P10721 2/20 0.50
MAPK14 Q16539 2/20 0.50
TNNI3K Q59H18 2/20 0.50
FLT1 P17948 1/20 0.50
TRPV1 Q8NER1 1/20 0.48
IDE P14735 1/20 0.47
MAPK1 P28482 1/20 0.47
MAPK10 P53779 1/20 0.47
MAPT P10636 2/20 0.47
MEN1 O00255 1/20 0.46
HTT P42858 1/20 0.46
RAB9A P51151 1/20 0.46
KMT2A Q03164 1/20 0.46
PIK3CA P42336 1/20 0.46

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
SCHEMBL3978525 0.90 BRAF (1.00) BRAFTEKKDRTRPV1IDE
SCHEMBL3977510 0.87 BRAF (0.66) BRAFTEKKDRFLT1
SCHEMBL4196519 0.87 BRAF (0.65) BRAFKDRMAPK14MAPT
SCHEMBL4188384 0.85 BRAF (0.63) BRAFTEKKDRKITMAPT
SCHEMBL4198556 0.85 CNR1 (0.62) BRAFTEKMAPTHTTRAB9A
SCHEMBL4188391 0.84 BRAF (0.61) BRAFTEKKDRKITFLT1
SCHEMBL4205684 0.83 BRAF (0.88) BRAFTEKKDRMAPK1MAPT
SCHEMBL4200345 0.83 BRAF (1.00) BRAFTEKKDRMAPTMEN1
SCHEMBL4188378 0.82 BRAF (0.57) BRAFTEKKDRKITMAPK14
SCHEMBL3976206 0.82 BRAF (0.84) BRAFTEKKDRMAPT

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 1/4885TEK 1005/4885KDR 616/4885

“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.