SCHEMBL3448756

SCHEMBL3448756

COc1cc(Nc2ncc(-c3cnc(OC)c(C(=O)NS(=O)(=O)C(C)C)c3)c(-n3ccc(C(F)(F)F)n3)n2)cc(OC)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYRO3 Q06418 1/20 0.37
MERTK Q12866 1/20 0.37
CNR2 P34972 4/20 0.36
DAPK1 P53355 1/20 0.36
AXL P30530 1/20 0.36
HDAC3 O15379 2/20 0.35
HDAC1 Q13547 2/20 0.35
HDAC2 Q92769 2/20 0.35
HDAC6 Q9UBN7 2/20 0.35
MAPK3 P27361 1/20 0.35
BTK Q06187 3/20 0.34
CDK1 P06493 1/20 0.34
CDK2 P24941 1/20 0.34
KDR P35968 1/20 0.34
PTK2 Q05397 1/20 0.34
LCK P06239 1/20 0.34
EGFR P00533 2/20 0.33
SYK P43405 1/20 0.33
SCN5A Q14524 1/20 0.33
SCN9A Q15858 1/20 0.33

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
SCHEMBL3449755 0.93 NPC1 (0.39) SYK
SCHEMBL3450528 0.92 SCN9A (0.39) TYRO3MERTKDAPK1AXLSYK
SCHEMBL3448548 0.91 TYRO3 (0.37) TYRO3MERTKCNR2DAPK1AXL
SCHEMBL3451240 0.89 PTK2 (0.41) TYRO3MERTKCNR2DAPK1HDAC3
SCHEMBL3451379 0.89 TYRO3 (0.36) TYRO3MERTKCNR2DAPK1AXL
SCHEMBL3449795 0.88 TYRO3 (0.40) TYRO3MERTKCNR2DAPK1AXL
SCHEMBL3375345 0.88 TYRO3 (0.39) TYRO3MERTKCNR2DAPK1AXL
SCHEMBL3450731 0.88 SCN9A (0.40) DAPK1SCN5ASCN9A
SCHEMBL3450757 0.88 SYK (0.42) SYKSCN9A
SCHEMBL3376690 0.87 TYRO3 (0.40) TYRO3MERTKCNR2DAPK1AXL

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 TYRO3 2798/4885MERTK 1743/4885CNR2 517/4885

“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.