SCHEMBL16396244

SCHEMBL16396244

C[Si](C)(C)C#Cc1cc(N)cc(-c2ccc(F)cc2F)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK1 P49759 1/20 0.35
TTR P02766 2/20 0.35
ADORA2A P29274 2/20 0.34
ADORA1 P30542 2/20 0.34
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33
FEN1 P39748 3/20 0.33
ALOX5AP P20292 2/20 0.33
ALDH1A1 P00352 2/20 0.33
KIT P10721 1/20 0.32
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
USP2 O75604 1/20 0.31
DHFR P00374 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
LMNA P02545 1/20 0.31
ALB P02768 1/20 0.31

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
SCHEMBL16402118 0.78 TTR (0.38) CLK1TTRADORA2AADORA1GABRG2
SCHEMBL16396000 0.78 GABRG2 (0.45) TTRADORA2AADORA1GABRG2GABRB3
SCHEMBL21819775 0.77 ALDH1A1 (0.48) CLK1TTRADORA2AADORA1FEN1
SCHEMBL29646646 0.77 ALDH1A1 (0.48) CLK1TTRADORA2AADORA1FEN1
SCHEMBL16342565 0.72 PTGS2 (0.45) CLK1TTRADORA2AADORA1FEN1
SCHEMBL19433368 0.69 APP (0.43) CLK1TTRADORA2AADORA1FEN1
SCHEMBL16395977 0.69 ALDH1A1 (0.41) CLK1TTRADORA2AADORA1FEN1
SCHEMBL28577877 0.69 GABRA1 (0.44) GABRG2GABRB3GABRA5GABRA3MEN1
SCHEMBL20929147 0.68 LOX (0.32)
SCHEMBL30293690 0.68 BACE1 (0.41) GABRG2GABRB3GABRA5GABRA3PDE3B

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10562912-B2 Heterocyclic derivatives and use thereof C&C RESEARCH LABORATORIES (KR) 2020-02-18 US disclosed
EP-3004057-B1 HETEROCYCLIC DERIVATIVES AND THEIR USE AS STAT 3 INHIBITORS C&C RES LAB (KR) 2018-07-25 EP disclosed
US-20160108056-A1 HETEROCYCLIC DERIVATIVES AND USE THEREOF C&C RESEARCH LABORATORIES (KR) 2016-04-21 US disclosed
EP-3004057-A1 HETEROCYCLIC DERIVATIVES AND USE THEREOF C&C Research Laboratories (KR) 2016-04-13 EP disclosed
WO-2014196793-A1 HETEROCYCLIC DERIVATIVES AND USE THEREOF C&C RESEARCH LABORATORIES (KR) 2014-12-11 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 (2 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-20160108056-A1 HETEROCYCLIC DERIVATIVES AND USE THEREOF STAT3, JAK2, STAT5A CLK1 2856/4885TTR 1936/4885ADORA2A 3818/4885
US-10562912-B2 Heterocyclic derivatives and use thereof STAT3, JAK2, STAT5A CLK1 2856/4885TTR 1936/4885ADORA2A 3818/4885

“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.