SCHEMBL9931975

SCHEMBL9931975

Nc1ccc(Cl)c(NC(=O)Nc2ncnc3sccc23)c1F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.45
GAA P10253 2/20 0.44
FDPS P14324 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
KDR P35968 3/20 0.41
PDGFRB P09619 2/20 0.41
RAF1 P04049 1/20 0.41
KIT P10721 1/20 0.41
FLT4 P35916 1/20 0.41
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.39
FADS1 O60427 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CHEK1 O14757 1/20 0.38
AURKA O14965 1/20 0.38
DAPK3 O43293 1/20 0.38
JAK2 O60674 1/20 0.38
MAP4K4 O95819 1/20 0.38
ABL1 P00519 1/20 0.38

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
SCHEMBL9932676 0.89 FDPS (0.44) EGFRGAAFDPSMEN1KMT2A
SCHEMBL9931970 0.87 EGFR (0.43) EGFRGAAFDPSMEN1KMT2A
SCHEMBL9967975 0.78 BRAF (0.58) KDRPDGFRBRAF1KITAURKA
SCHEMBL9932670 0.76 EGFR (0.42) EGFRGAAFDPSMEN1KMT2A
SCHEMBL9932533 0.72 LMNA (0.38) EGFRKDRAURKAFGFR1AURKB
SCHEMBL9932683 0.71 BRAF (0.56) EGFRKDRRETFGFR1MAPK1
SCHEMBL11429450 0.69 RAB9A (0.56) GAAFDPSMEN1KMT2AKDR
SCHEMBL9931500 0.68 BRAF (0.47) EGFRAURKB
SCHEMBL9967971 0.68 BRAF (0.69) SMN1; SMN2
SCHEMBL9932327 0.68 BRAF (0.63) KDRFLT3MAPK1

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-20120157453-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2012-06-21 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-20120157453-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF BRAF, RAF1, ARAF EGFR 597/4885GAA 2310/4885FDPS 1120/4885

“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.