SCHEMBL4205684

SCHEMBL4205684

O=C(Nc1cccc(-c2ncnc3sc(-c4ccccc4)cc23)c1)c1cccc(C(F)(F)F)c1

nearest known ligand 0.88

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 4/20 0.88
KCNK3 O14649 2/20 0.56
LMNA P02545 1/20 0.56
PDGFRB P09619 1/20 0.55
KDR P35968 1/20 0.55
MAPT P10636 3/20 0.51
CSNK2A2 P19784 1/20 0.50
CSNK2B P67870 1/20 0.50
CSNK2A1 P68400 1/20 0.50
MAPK1 P28482 1/20 0.49
RXFP1 Q9HBX9 2/20 0.49
PTGS1 P23219 1/20 0.49
MEN1 O00255 1/20 0.49
HTT P42858 1/20 0.49
RAB9A P51151 1/20 0.49
KMT2A Q03164 1/20 0.49
TEK Q02763 1/20 0.49
KCNK9 Q9NPC2 1/20 0.48
ALDH1A1 P00352 1/20 0.47
KCNQ3 O43525 1/20 0.47

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 0.94 BRAF (1.00) BRAFKCNK3LMNAPDGFRBKDR
SCHEMBL4200345 0.92 BRAF (1.00) BRAFPDGFRBKDRMAPTRXFP1
SCHEMBL3976206 0.90 BRAF (0.84) BRAFKCNK3LMNAPDGFRBKDR
SCHEMBL4190532 0.90 BRAF (0.79) BRAFKCNK3LMNAPDGFRBKDR
SCHEMBL4192912 0.90 BRAF (0.77) BRAFKCNK3LMNAPDGFRBKDR
SCHEMBL4195742 0.89 BRAF (0.81) BRAFKCNK3PDGFRBKDRMAPT
SCHEMBL3980014 0.87 BRAF (0.73) BRAFKCNK3LMNAPDGFRBKDR
SCHEMBL3982001 0.87 BRAF (0.73) BRAFKCNK3LMNAPDGFRBKDR
SCHEMBL4192634 0.86 BRAF (0.69) BRAFKCNK3LMNAPDGFRBKDR
SCHEMBL4193600 0.85 BRAF (0.70) BRAFKCNK3LMNAPDGFRBKDR

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 1/4885KCNK3 1832/4885LMNA 3993/4885

“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.