SCHEMBL2318529

SCHEMBL2318529

COc1ccc(-c2cc3c(ncc4c(C)ncn43)n2COCC[Si](C)(C)C)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 3/20 0.36
TDP1 Q9NUW8 3/20 0.35
ALOX15 P16050 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
DGAT1 O75907 2/20 0.34
SRC P12931 3/20 0.34
ALDH1A1 P00352 2/20 0.33
HPGD P15428 1/20 0.33
NTRK1 P04629 3/20 0.33
PIM1 P11309 3/20 0.33
MAPT P10636 3/20 0.32
CHEK1 O14757 1/20 0.32
EGFR P00533 1/20 0.32
RET P07949 1/20 0.32
ROS1 P08922 1/20 0.32
KIT P10721 1/20 0.32
CDK2 P24941 1/20 0.32
CSNK2A1 P68400 1/20 0.32
ACVR1 Q04771 1/20 0.32
MAPK1 P28482 1/20 0.32

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
SCHEMBL2320195 0.83 ALOX15 (0.37) TDP1ALOX15L3MBTL1DGAT1ALDH1A1
SCHEMBL2315378 0.81 TDP1 (0.36) FLT3TDP1ALOX15L3MBTL1DGAT1
SCHEMBL2317262 0.79 BRD4 (0.36) FLT3TDP1ALOX15L3MBTL1DGAT1
SCHEMBL2314920 0.74 DGAT1 (0.38) FLT3TDP1ALOX15L3MBTL1DGAT1
SCHEMBL2317159 0.74 TDP1 (0.39) TDP1ALOX15L3MBTL1DGAT1ALDH1A1
SCHEMBL1932973 0.71 DGAT1 (0.39) TDP1ALOX15L3MBTL1DGAT1ALDH1A1
SCHEMBL30862665 0.71 TDP1 (0.38) TDP1ALOX15DGAT1ALDH1A1HPGD
SCHEMBL1932974 0.71 ALOX15 (0.34) TDP1ALOX15DGAT1ALDH1A1HPGD
SCHEMBL1536843 0.69 GSK3B (0.36) FLT3NTRK1PIM1RETNPC1
SCHEMBL4065268 0.69 TDP1 (0.44) FLT3TDP1ALOX15DGAT1ALDH1A1

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 FLT3 718/4885TDP1 3938/4885ALOX15 597/4885
US-20110190489-A1 Novel Tricyclic Compounds CCNI, IL2, IL4I1 FLT3 718/4885TDP1 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.