SCHEMBL3450345

SCHEMBL3450345

COc1cc(Nc2ncc(-c3cnc(SC)c(C(=O)NS(C)(=O)=O)c3)c(-n3nc(C(F)(F)F)cc3C)n2)cc(OC)c1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 15/20 0.36
SYK P43405 1/20 0.35
AXL P30530 1/20 0.35
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
PTGS2 P35354 1/20 0.34
SCN5A Q14524 2/20 0.34
DAPK1 P53355 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
SCHEMBL3450478 0.91 SCN9A (0.40) SCN9ASYKAXLHDAC3HDAC1
SCHEMBL3377713 0.90 SYK (0.39) SYKHDAC3HDAC1HDAC2HDAC6
SCHEMBL3447231 0.90 TYRO3 (0.37) SYKAXLHDAC3HDAC1HDAC2
SCHEMBL3451944 0.88 SYK (0.40) SCN9ASYKSCN5A
SCHEMBL3448531 0.87 SCN9A (0.41) SCN9ASCN5ADAPK1
SCHEMBL3451039 0.87 HDAC3 (0.43) SCN9ASYKAXLHDAC3HDAC1
SCHEMBL3447527 0.87 AXL (0.37) SCN9ASYKAXLHDAC3HDAC1
SCHEMBL13312616 0.86 SCN9A (0.36) SCN9ASYKAXLSCN5ADAPK1
SCHEMBL13312706 0.86 SYK (0.35) SCN9ASYKAXLHDAC3HDAC1
SCHEMBL3449065 0.86 SYK (0.39) SCN9ASYKPTGS2SCN5ADAPK1

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 4 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
WO-2010038081-A2 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB (SE) 2010-04-08 WO 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 SCN9A 3206/4885SYK 804/4885AXL 2812/4885

“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.