SCHEMBL13312583

SCHEMBL13312583

CCOC(=O)c1cc(-c2cnc(Nc3cc(OC)cc(OC)c3)nc2-n2ccc(C(F)(F)F)n2)cnc1OCCCS(C)(=O)=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT5 Q9NXA8 3/20 0.39
CDK2 P24941 2/20 0.36
CDK9 P50750 2/20 0.36
MAPT P10636 3/20 0.35
THRB P10828 1/20 0.35
AXL P30530 1/20 0.35
NPC1 O15118 1/20 0.35
TYRO3 Q06418 1/20 0.35
MERTK Q12866 1/20 0.35
SYK P43405 2/20 0.34
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
TYK2 P29597 1/20 0.34
JAK3 P52333 1/20 0.34
LMNA P02545 1/20 0.34
TSHR P16473 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
EGFR P00533 4/20 0.34
ITK Q08881 3/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL13312615 0.92 SYK (0.37) AXLTYRO3MERTKSYKEGFR
SCHEMBL13312620 0.90 SCN9A (0.35) AXLTYRO3MERTKSYKEGFR
SCHEMBL3451348 0.89 NPC1 (0.38) MAPTNPC1SYK
SCHEMBL3448707 0.89 AXL (0.35) CDK2CDK9AXLTYRO3MERTK
SCHEMBL13312581 0.89 SIRT5 (0.38) SIRT5CDK2CDK9MAPTAXL
SCHEMBL3449657 0.85 NPSR1 (0.37) SIRT5CDK2CDK9MAPTAXL
SCHEMBL3450987 0.85 EGFR (0.38) CDK2CDK9MAPTNPC1SYK
SCHEMBL3451183 0.84 CNR2 (0.39) AXLTYRO3MERTK
SCHEMBL3376690 0.84 TYRO3 (0.40) MAPTAXLNPC1TYRO3MERTK
SCHEMBL3374978 0.83 TYRO3 (0.37) SIRT5CDK2CDK9MAPTAXL

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 2 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

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 SIRT5 945/4885CDK2 2258/4885CDK9 3611/4885

“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.