SCHEMBL2317159

SCHEMBL2317159

COc1ccc(-c2cc3nccnc3n2COCC[Si](C)(C)C)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ALOX15 P16050 1/20 0.38
CCNB2 O95067 2/20 0.38
CDK1 P06493 2/20 0.38
CCNB1 P14635 2/20 0.38
CDK5 Q00535 2/20 0.38
CDK5R1 Q15078 2/20 0.38
CCNB3 Q8WWL7 2/20 0.38
GSK3A P49840 1/20 0.38
GSK3B P49841 1/20 0.38
NTRK1 P04629 4/20 0.37
PIM1 P11309 4/20 0.37
CHEK1 O14757 1/20 0.36
EGFR P00533 1/20 0.36
RET P07949 1/20 0.36
ROS1 P08922 1/20 0.36
KIT P10721 1/20 0.36
CDK2 P24941 1/20 0.36
CSNK2A1 P68400 1/20 0.36

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 0.83 DGAT1 (0.38) TDP1L3MBTL1ALOX15CDK1CDK5
SCHEMBL1932973 0.80 DGAT1 (0.39) TDP1L3MBTL1ALOX15ALDH1A1KDM4E
SCHEMBL1932974 0.79 ALOX15 (0.34) TDP1ALOX15NTRK1ALDH1A1KDM4E
SCHEMBL30862665 0.77 TDP1 (0.38) TDP1ALOX15ALDH1A1KDM4ESMN1; SMN2
SCHEMBL12389426 0.77 NPC1 (0.36) DGAT1MAPTNPC1HTT
SCHEMBL25252267 0.76 PIK3C3 (0.40)
SCHEMBL2315378 0.75 TDP1 (0.36) TDP1L3MBTL1ALOX15NTRK1PIM1
SCHEMBL2318529 0.74 FLT3 (0.36) TDP1L3MBTL1ALOX15NTRK1PIM1
SCHEMBL18741105 0.74 NTRK1 (0.41) ALOX15NTRK1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL2317262 0.73 BRD4 (0.36) TDP1L3MBTL1ALOX15ALDH1A1KDM4E

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 TDP1 3938/4885L3MBTL1 4805/4885ALOX15 597/4885
US-20110190489-A1 Novel Tricyclic Compounds CCNI, IL2, IL4I1 TDP1 3938/4885L3MBTL1 4805/4885ALOX15 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.