SCHEMBL4194989

SCHEMBL4194989

O=C(Nc1cccc(-c2ncnc3scc(-c4ccncc4)c23)c1)Nc1ccc(F)c(C(F)(F)F)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BLM P54132 1/20 0.54
WRN Q14191 1/20 0.54
KDR P35968 9/20 0.51
FLT3 P36888 8/20 0.51
KIT P10721 6/20 0.51
BRAF P15056 6/20 0.51
CSF1R P07333 5/20 0.51
FGFR1 P11362 5/20 0.51
FLT1 P17948 5/20 0.51
RET P07949 4/20 0.51
FRK P42685 4/20 0.51
CAMK2D Q13557 4/20 0.51
NTRK3 Q16288 4/20 0.51
HIPK4 Q8NE63 4/20 0.51
PLK4 O00444 4/20 0.51
AURKA O14965 4/20 0.51
ABL1 P00519 4/20 0.51
NTRK1 P04629 4/20 0.51
LCK P06239 4/20 0.51
FYN P06241 4/20 0.51

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
SCHEMBL4195622 0.91 BRAF (0.59) BLMKDRFLT3KITBRAF
SCHEMBL4188378 0.88 BRAF (0.57) KDRFLT3KITBRAFCSF1R
SCHEMBL4205668 0.86 KDR (0.63) KDRFLT3KITBRAFCSF1R
SCHEMBL4195736 0.85 KDR (0.67) KDRFLT3KITCSF1RFGFR1
SCHEMBL3977510 0.83 BRAF (0.66) BLMWRNKDRFLT3BRAF
SCHEMBL4205675 0.83 KIT (0.64) KDRFLT3KITBRAFCSF1R
SCHEMBL4195360 0.80 BRAF (0.71) KDRBRAFPDGFRB
SCHEMBL4192298 0.74 BRAF (0.53) KDRBRAFCSF1R
SCHEMBL4196519 0.74 BRAF (0.65) BLMKDRBRAFMINK1BTK
SCHEMBL4656768 0.72 BRAF (0.68) BRAFRIPK1EPHB4

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 BLM 2054/4885WRN 748/4885KDR 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.