SCHEMBL9932670

SCHEMBL9932670

NC(=O)c1ccc(F)c(NC(=O)Nc2ncnc3sccc23)c1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
GAA P10253 2/20 0.42
PDGFRB P09619 2/20 0.41
KDR P35968 2/20 0.41
RAF1 P04049 1/20 0.41
KIT P10721 1/20 0.41
FLT4 P35916 1/20 0.41
FDPS P14324 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
BRAF P15056 1/20 0.40
RAB9A P51151 2/20 0.39
NPC1 O15118 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

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
SCHEMBL9931970 0.89 EGFR (0.43) EGFRMEN1KMT2AGAAPDGFRB
SCHEMBL9932676 0.87 FDPS (0.44) EGFRMEN1KMT2AGAAPDGFRB
SCHEMBL9931498 0.80 BRAF (0.46) EGFRBRAFAURKB
SCHEMBL9932324 0.79 BRAF (0.61) KDRBRAFFLT3MAPK1
SCHEMBL9932387 0.78 SMN1; SMN2 (0.45) MEN1KMT2AGAAKDRRAF1
SCHEMBL9931975 0.76 EGFR (0.45) EGFRMEN1KMT2AGAAPDGFRB
SCHEMBL9932105 0.76 MAPT (0.54) EGFRMEN1KMT2AGAAPDGFRB
SCHEMBL9932544 0.76 BRAF (0.39) KDRBRAFRAB9ANPC1AURKA
SCHEMBL9967971 0.76 BRAF (0.69) SMN1; SMN2BRAF
SCHEMBL9932401 0.75 BRAF (0.41) BRAFAURKAAURKB

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 597/4885MEN1 1047/4885KMT2A 2628/4885

“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.