SCHEMBL3449203

SCHEMBL3449203

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAPK1 P53355 3/20 0.36
TYRO3 Q06418 1/20 0.35
MERTK Q12866 1/20 0.35
HDAC3 O15379 2/20 0.35
HDAC1 Q13547 2/20 0.35
HDAC2 Q92769 2/20 0.35
HDAC6 Q9UBN7 2/20 0.35
CNR2 P34972 2/20 0.35
AXL P30530 1/20 0.34
SYK P43405 2/20 0.34
LCK P06239 2/20 0.34
BTK Q06187 1/20 0.34
F10 P00742 2/20 0.33
MAPK3 P27361 1/20 0.33
STIM1 Q13586 1/20 0.33
ORAI1 Q96D31 1/20 0.33
CSF1R P07333 2/20 0.33
RIPK1 Q13546 1/20 0.33
SCN9A Q15858 1/20 0.33
CDK4 P11802 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
SCHEMBL3450237 0.94 SYK (0.38) SYK
SCHEMBL3450478 0.92 SCN9A (0.40) DAPK1TYRO3MERTKHDAC3HDAC1
SCHEMBL3450588 0.91 DAPK1 (0.36) DAPK1TYRO3MERTKHDAC3HDAC1
SCHEMBL3449319 0.91 DAPK1 (0.36) DAPK1TYRO3MERTKHDAC3HDAC1
SCHEMBL3448495 0.89 PTK2 (0.40) DAPK1TYRO3MERTKHDAC3HDAC1
SCHEMBL3447680 0.89 SCN5A (0.36) DAPK1TYRO3MERTKHDAC3HDAC1
SCHEMBL3449724 0.89 DAPK1 (0.35) DAPK1TYRO3MERTKHDAC3HDAC1
SCHEMBL3451944 0.89 SYK (0.40) SYKSCN9A
SCHEMBL3450781 0.88 TYRO3 (0.39) DAPK1TYRO3MERTKHDAC3HDAC1
SCHEMBL3376116 0.88 DAPK1 (0.39) DAPK1TYRO3MERTKHDAC3HDAC1

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 DAPK1 3761/4885TYRO3 2798/4885MERTK 1743/4885

“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.