SCHEMBL1932973

SCHEMBL1932973

COc1ccc(-c2cc3nc(C(C)=O)cnc3n2COCC[Si](C)(C)C)cc1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 3/20 0.39
MAPT P10636 4/20 0.38
ALOX15 P16050 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
ALDH1A1 P00352 6/20 0.35
KDM4E B2RXH2 3/20 0.35
POLB P06746 1/20 0.35
HSD17B10 Q99714 1/20 0.35
GAA P10253 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
NPC1 O15118 2/20 0.35
HPGD P15428 2/20 0.34
RECQL P46063 1/20 0.34
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
LMNA P02545 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL2314920 0.84 DGAT1 (0.38) DGAT1MAPTALOX15TDP1ALDH1A1
SCHEMBL1932974 0.82 ALOX15 (0.34) DGAT1MAPTALOX15TDP1ALDH1A1
SCHEMBL2317159 0.80 TDP1 (0.39) DGAT1MAPTALOX15TDP1ALDH1A1
SCHEMBL12389653 0.79 NPC1 (0.41) DGAT1MAPTALDH1A1KDM4ENPC1
SCHEMBL2316190 0.73 MAPT (0.36) DGAT1MAPTNPC1
SCHEMBL2320195 0.72 ALOX15 (0.37) DGAT1MAPTALOX15TDP1ALDH1A1
SCHEMBL2315378 0.72 TDP1 (0.36) DGAT1MAPTALOX15TDP1ALDH1A1
SCHEMBL2318305 0.72 DGAT1 (0.35) DGAT1MAPTALDH1A1HSD17B10LMNA
SCHEMBL2318529 0.71 FLT3 (0.36) DGAT1MAPTALOX15TDP1ALDH1A1
SCHEMBL1536841 0.71 MTNR1A (0.42)

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 12 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-20140349970-A1 NOVEL TRICYCLIC COMPOUNDS ABBVIE INC. (US) 2014-11-27 US disclosed
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-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-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
EP-2506713-A1 NOVEL TRICYCLIC COMPOUNDS Abbott Laboratories (US) 2012-10-10 EP disclosed
US-20110190489-A1 Novel Tricyclic Compounds ABBOTT LABORATORIES (US) 2011-08-04 US disclosed
US-20110190489-A1 Novel Tricyclic Compounds ABBOTT LABORATORIES (US) 2011-08-04 US disclosed
US-20110190489-A1 Novel Tricyclic Compounds ABBOTT LABORATORIES (US) 2011-08-04 US disclosed
WO-2011068899-A1 NOVEL TRICYCLIC COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-09 WO disclosed
WO-2011068899-A1 NOVEL TRICYCLIC COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-09 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-20140349970-A1 NOVEL TRICYCLIC COMPOUNDS CCNI, IL2, IL4I1 DGAT1 2419/4885MAPT 3798/4885ALOX15 597/4885
US-20110190489-A1 Novel Tricyclic Compounds CCNI, IL2, IL4I1 DGAT1 2419/4885MAPT 3798/4885ALOX15 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.