SCHEMBL3976206

SCHEMBL3976206

O=C(Nc1cccc(-c2ncnc3sc(-c4ccnc(Cl)c4)cc23)c1)c1cccc(C(F)(F)F)c1

nearest known ligand 0.84

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BRAF P15056 9/20 0.84
KDR P35968 2/20 0.49
PDGFRB P09619 1/20 0.49
MAPT P10636 2/20 0.48
KCNQ3 O43525 2/20 0.48
KCNQ2 O43526 2/20 0.48
KCNE1 P15382 2/20 0.48
KCNQ1 P51787 2/20 0.48
KCNQ5 Q9NR82 1/20 0.47
KCNK3 O14649 1/20 0.45
TEK Q02763 1/20 0.45
LMNA P02545 1/20 0.44
PIP4K2A P48426 1/20 0.44
PIP4K2C Q8TBX8 1/20 0.44
CSF1R P07333 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
SCHEMBL3978525 0.91 BRAF (1.00) BRAFKDRPDGFRBMAPTKCNK3
SCHEMBL4205684 0.90 BRAF (0.88) BRAFKDRPDGFRBMAPTKCNQ3
SCHEMBL4195742 0.89 BRAF (0.81) BRAFKDRPDGFRBMAPTKCNK3
SCHEMBL4200345 0.88 BRAF (1.00) BRAFKDRPDGFRBMAPTTEK
SCHEMBL4190532 0.85 BRAF (0.79) BRAFKDRPDGFRBMAPTKCNK3
SCHEMBL4192912 0.84 BRAF (0.77) BRAFKDRPDGFRBMAPTKCNK3
SCHEMBL3980014 0.82 BRAF (0.73) BRAFKDRPDGFRBMAPTKCNQ3
SCHEMBL3982001 0.82 BRAF (0.73) BRAFKDRPDGFRBMAPTKCNQ3
SCHEMBL4195978 0.82 BRAF (0.76) BRAFKDRKCNQ3KCNQ2KCNE1
SCHEMBL4199752 0.82 BRAF (0.82) BRAFKDRMAPTTEK

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 616/4885PDGFRB 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.