SCHEMBL9931970

SCHEMBL9931970

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.43
GAA P10253 2/20 0.43
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
KDR P35968 2/20 0.40
RAF1 P04049 1/20 0.40
PDGFRB P09619 1/20 0.40
KIT P10721 1/20 0.40
FLT4 P35916 1/20 0.40
FDPS P14324 1/20 0.39
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
FADS1 O60427 1/20 0.38
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.36
MAPK1 P28482 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
PIP4K2A P48426 2/20 0.35
PIP4K2C Q8TBX8 1/20 0.35

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
SCHEMBL9932670 0.89 EGFR (0.42) EGFRGAAMEN1KMT2AKDR
SCHEMBL9931975 0.87 EGFR (0.45) EGFRGAAMEN1KMT2AKDR
SCHEMBL9967975 0.77 BRAF (0.58) KDRRAF1PDGFRBKITAURKA
SCHEMBL9932676 0.76 FDPS (0.44) EGFRGAAMEN1KMT2AKDR
SCHEMBL9932530 0.73 LMNA (0.37) EGFRKDRKDM4EAURKA
SCHEMBL9932672 0.72 BRAF (0.54) EGFRKDRMAPK1AURKARPS6KB1
SCHEMBL9931498 0.70 BRAF (0.46) EGFR
SCHEMBL9932324 0.69 BRAF (0.61) KDRMAPK1
SCHEMBL9932387 0.68 SMN1; SMN2 (0.45) GAAMEN1KMT2AKDRRAF1
SCHEMBL11429450 0.67 RAB9A (0.56) GAAMEN1KMT2AKDRRAF1

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 2310/4885MEN1 1047/4885

“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.