SCHEMBL3449763

SCHEMBL3449763

COC(=O)c1cc(-c2cnc(Nc3cc(OC)cc(OC)c3)nc2-n2ccc(C(F)(F)F)n2)cn(CCS(C)(=O)=O)c1=O

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 3/20 0.38
BRAF P15056 3/20 0.38
TYRO3 Q06418 3/20 0.37
MERTK Q12866 2/20 0.37
AXL P30530 3/20 0.36
EGFR P00533 1/20 0.34
FGFR1 P11362 1/20 0.34
MAPK3 P27361 1/20 0.34
CNR2 P34972 1/20 0.34
RIPK2 O43353 1/20 0.33
SYK P43405 5/20 0.33
FGFR4 P22455 1/20 0.33
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32

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
SCHEMBL3447552 0.94 RAF1 (0.38) RAF1BRAFTYRO3MERTKAXL
SCHEMBL3451045 0.91 TYRO3 (0.38) TYRO3MERTKEGFRFGFR1MAPK3
SCHEMBL3450159 0.88 RAF1 (0.37) RAF1BRAFTYRO3MERTKAXL
SCHEMBL3448417 0.88 RAF1 (0.36) RAF1BRAFAXLEGFRFGFR1
SCHEMBL3374978 0.88 TYRO3 (0.37) TYRO3MERTKAXLMAPK3CNR2
SCHEMBL3448967 0.86 CNR2 (0.36) TYRO3MERTKAXLEGFRFGFR1
SCHEMBL13312858 0.86 CNR2 (0.38) TYRO3MERTKEGFRFGFR1MAPK3
SCHEMBL3448704 0.85 SYK (0.40) TYRO3MERTKCNR2SYK
SCHEMBL13312862 0.85 CNR2 (0.35) TYRO3MERTKAXLEGFRFGFR1
SCHEMBL3449325 0.84 TYRO3 (0.37) RAF1BRAFTYRO3MERTKAXL

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB 2010-06-03 US disclosed
US-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB 2010-06-03 US disclosed
US-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB 2010-06-03 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-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF SDHA, SDHB, UROD RAF1 2448/4885BRAF 1251/4885TYRO3 2798/4885

“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.