SCHEMBL3843617

SCHEMBL3843617

CC[Si](C#Cc1c2cc(-c3cc4ccccc4s3)sc2c(C#C[Si](CC)(CC)CC)c2cc(-c3cc4ccccc4s3)sc12)(CC)CC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 2/20 0.38
▸ STK17B O94768 2/20 0.37
▸ STK17A Q9UEE5 2/20 0.37
▸ CAMKK1 Q8N5S9 1/20 0.37
▸ AURKB Q96GD4 1/20 0.37
▸ CAMKK2 Q96RR4 1/20 0.37
▸ PIM2 Q9P1W9 1/20 0.37
▸ HIPK4 Q8NE63 1/20 0.36
▸ GRM5 P41594 1/20 0.36
▸ HSD17B1 P14061 1/20 0.35
▸ HSD17B2 P37059 1/20 0.35
▸ TNIK Q9UKE5 2/20 0.35
▸ NQO1 P15559 1/20 0.35
▸ NQO2 P16083 1/20 0.35
▸ ADORA2A P29274 1/20 0.34
▸ ADORA1 P30542 1/20 0.34
▸ PIK3CD O00329 1/20 0.33
▸ PIK3CA P42336 1/20 0.33
▸ PIK3CB P42338 1/20 0.33
▸ PIK3CG P48736 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
SCHEMBL3846179 0.82 APP (0.38) APPSTK17BSTK17ACAMKK1AURKB
SCHEMBL15853288 0.71 ATM (0.35) —
SCHEMBL29628718 0.71 CYP1A2 (0.34) NQO1NQO2CYP2A6
SCHEMBL649438 0.71 CYP1A2 (0.34) NQO1NQO2CYP2A6
SCHEMBL3842558 0.70 — —
SCHEMBL15026030 0.70 ADORA2A (0.35) ADORA2AADORA1
SCHEMBL10045614 0.70 L3MBTL1 (0.38) APPPIM2KCNH2
SCHEMBL793586 0.68 CA12 (0.31) CA2
SCHEMBL18405847 0.68 CYP1A2 (0.32) NQO1CYP2A6
SCHEMBL845603 0.68 APP (0.63) APPHSD17B1HSD17B2NQO1NQO2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090314997-A1 SUBSTITUTED BENZODITHIOPHENES AND BENZODISELENOPHENES MERCK PATENT GESELLSCHAFT (DE) 2009-12-24 — — US disclosed
US-20090314997-A1 SUBSTITUTED BENZODITHIOPHENES AND BENZODISELENOPHENES MERCK PATENT GESELLSCHAFT (DE) 2009-12-24 — — US 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-20090314997-A1 SUBSTITUTED BENZODITHIOPHENES AND BENZODISELENOPHENES TPST2, TST, XPOT APP 3140/4885STK17B 2244/4885STK17A 1992/4885

“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.

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