SCHEMBL3448186

SCHEMBL3448186

COc1cc(Nc2ncc(-c3cncc(C(=O)NS(C)(=O)=O)c3)c(-n3ccc(C(F)(F)F)n3)n2)cc(OC)c1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.42
HDAC3 O15379 2/20 0.40
HDAC1 Q13547 2/20 0.40
HDAC2 Q92769 2/20 0.40
HDAC6 Q9UBN7 2/20 0.40
AXL P30530 1/20 0.38
SCN9A Q15858 4/20 0.37
SCN5A Q14524 1/20 0.37
PDGFRB P09619 1/20 0.37
TYRO3 Q06418 1/20 0.36
MERTK Q12866 1/20 0.36
PTK2 Q05397 1/20 0.36
MAPK3 P27361 1/20 0.36
EGFR P00533 1/20 0.36
BTK Q06187 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
SAE1 Q9UBE0 1/20 0.36
UBA2 Q9UBT2 1/20 0.36

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
SCHEMBL3450331 0.91 PTK2 (0.45) HDAC3HDAC1HDAC2HDAC6PDGFRB
SCHEMBL3451247 0.90 HDAC3 (0.40) HDAC3HDAC1HDAC2HDAC6PDGFRB
SCHEMBL3451952 0.89 AXL (0.38) HDAC3HDAC1HDAC2HDAC6AXL
SCHEMBL3376553 0.89 PDGFRB (0.40) SYKHDAC3HDAC1HDAC2HDAC6
SCHEMBL3450528 0.88 SCN9A (0.39) SYKAXLSCN9ASCN5ATYRO3
SCHEMBL3447905 0.87 PTK2 (0.39) HDAC3HDAC1HDAC2HDAC6PDGFRB
SCHEMBL3452726 0.87 AXL (0.36) SYKHDAC3HDAC1HDAC2HDAC6
SCHEMBL13421202 0.87 EGFR (0.38) SYKHDAC3HDAC1HDAC2HDAC6
SCHEMBL3450608 0.87 SYK (0.42) SYKHDAC3HDAC1HDAC2HDAC6
SCHEMBL3451524 0.86 SYK (0.40) SYKSCN9ASCN5A

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 SYK 804/4885HDAC3 1200/4885HDAC1 1109/4885

“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.