SCHEMBL3449778

SCHEMBL3449778

COc1cc(C)cc(Nc2ncc(-c3cc(C(=O)NS(C)(=O)=O)c(=O)n(C)c3)c(-n3ccc(C(F)(F)F)n3)n2)c1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SYK P43405 14/20 0.40
AXL P30530 1/20 0.34
CDK4 P11802 1/20 0.34
CDK2 P24941 1/20 0.34
GSK3B P49841 1/20 0.34
TYRO3 Q06418 1/20 0.34
MERTK Q12866 1/20 0.34
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.33
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
JAK3 P52333 1/20 0.33
CNR2 P34972 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
SCHEMBL3449315 0.96 AXL (0.37) SYKAXLTYRO3MERTKCNR2
SCHEMBL3450483 0.93 SYK (0.39) SYKAXLCDK4CDK2GSK3B
SCHEMBL3376902 0.90 SYK (0.39) SYKTYRO3MERTKNPC1MAPT
SCHEMBL3450724 0.90 SYK (0.44) SYK
SCHEMBL13421084 0.90 SYK (0.37) SYKTYRO3MERTKNPC1MAPT
SCHEMBL3450757 0.89 SYK (0.42) SYKNPC1MAPT
SCHEMBL3447967 0.89 SYK (0.39) SYKAXLCDK4CDK2GSK3B
SCHEMBL3448967 0.88 CNR2 (0.36) SYKAXLGSK3BTYRO3MERTK
SCHEMBL3448126 0.85 SYK (0.40) SYKNPC1MAPT
SCHEMBL13312706 0.85 SYK (0.35) SYKAXLCDK4CDK2GSK3B

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 804/4885AXL 2812/4885CDK4 2536/4885

“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.