SCHEMBL3451952

SCHEMBL3451952

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

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AXL P30530 2/20 0.38
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
CNR2 P34972 2/20 0.35
PDGFRB P09619 1/20 0.35
PIK3CG P48736 1/20 0.35
BRAF P15056 2/20 0.35
ALPL P05186 1/20 0.35
TYRO3 Q06418 1/20 0.35
MERTK Q12866 1/20 0.35
PTK2 Q05397 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
SCHEMBL3447905 0.92 PTK2 (0.39) HDAC3HDAC1HDAC2HDAC6CNR2
SCHEMBL3448186 0.89 SYK (0.42) AXLHDAC3HDAC1HDAC2HDAC6
SCHEMBL3451183 0.89 CNR2 (0.39) AXLCNR2TYRO3MERTK
SCHEMBL3450331 0.88 PTK2 (0.45) HDAC3HDAC1HDAC2HDAC6PDGFRB
SCHEMBL3448211 0.88 AXL (0.36) AXLHDAC3HDAC1HDAC2HDAC6
SCHEMBL3451247 0.87 HDAC3 (0.40) HDAC3HDAC1HDAC2HDAC6CNR2
SCHEMBL3376553 0.86 PDGFRB (0.40) HDAC3HDAC1HDAC2HDAC6PDGFRB
SCHEMBL3452726 0.84 AXL (0.36) AXLHDAC3HDAC1HDAC2HDAC6
SCHEMBL3449079 0.84 SYK (0.43) HDAC3HDAC1HDAC2HDAC6PDGFRB
SCHEMBL13421202 0.84 EGFR (0.38) AXLHDAC3HDAC1HDAC2HDAC6

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 AXL 2812/4885HDAC3 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.