SCHEMBL2317262

SCHEMBL2317262

COc1ccc(-c2cc3c(ncc4nnc(C)n43)n2COCC[Si](C)(C)C)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.36
TDP1 Q9NUW8 3/20 0.35
ALOX15 P16050 1/20 0.35
DGAT1 O75907 3/20 0.34
FLT3 P36888 1/20 0.33
PDE2A O00408 1/20 0.33
MAPT P10636 4/20 0.33
IKBKB O14920 1/20 0.32
CHUK O15111 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
ADORA1 P30542 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
EGLN2 Q96KS0 1/20 0.32
USP2 O75604 2/20 0.32
ALDH1A1 P00352 2/20 0.32
LMNA P02545 2/20 0.32
KDM4E B2RXH2 1/20 0.32
HSD17B10 Q99714 1/20 0.32
FYN P06241 1/20 0.32
OXTR P30559 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
SCHEMBL2315378 0.86 TDP1 (0.36) TDP1ALOX15DGAT1FLT3MAPT
SCHEMBL2320195 0.84 ALOX15 (0.37) BRD4TDP1ALOX15DGAT1MAPT
SCHEMBL4346505 0.84 GSK3B (0.36) BRD4DGAT1FLT3FYN
SCHEMBL1933025 0.83 DGAT1 (0.33) DGAT1MAPTFYN
SCHEMBL2318529 0.79 FLT3 (0.36) TDP1ALOX15DGAT1FLT3MAPT
SCHEMBL16261059 0.75 NPC1 (0.39) DGAT1MAPTUSP2ALDH1A1KDM4E
SCHEMBL2314920 0.73 DGAT1 (0.38) TDP1ALOX15DGAT1FLT3MAPT
SCHEMBL2317159 0.73 TDP1 (0.39) TDP1ALOX15DGAT1MAPTL3MBTL1
SCHEMBL2315068 0.71 NPC1 (0.32) DGAT1MAPTNPC1
SCHEMBL2317057 0.71 MAPT (0.35) DGAT1MAPTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140349970-A1 NOVEL TRICYCLIC COMPOUNDS ABBVIE INC. (US) 2014-11-27 US disclosed
US-8785639-B2 Substituted dihydropyrazolo[3,4-D]pyrrolo[2,3-B]pyridines and methods of use thereof ABBVIE INC. (US) 2014-07-22 US disclosed
US-20110190489-A1 Novel Tricyclic Compounds ABBOTT LABORATORIES (US) 2011-08-04 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 (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-20140349970-A1 NOVEL TRICYCLIC COMPOUNDS CCNI, IL2, IL4I1 BRD4 1047/4885TDP1 3938/4885ALOX15 597/4885
US-20110190489-A1 Novel Tricyclic Compounds CCNI, IL2, IL4I1 BRD4 1047/4885TDP1 3938/4885ALOX15 597/4885

“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.