SCHEMBL2321156

SCHEMBL2321156

COc1ccc2c(c1)c(-c1cc3nc(NC(=O)O)cnc3n1COCC[Si](C)(C)C)cn2C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 2/20 0.38
IGF1R P08069 2/20 0.38
GSK3A P49840 2/20 0.38
GSK3B P49841 2/20 0.38
CDK7 P50613 2/20 0.38
LRRK2 Q5S007 2/20 0.38
AURKB Q96GD4 2/20 0.38
AURKA O14965 1/20 0.38
PAK4 O96013 1/20 0.38
ABL1 P00519 1/20 0.38
NTRK1 P04629 1/20 0.38
FYN P06241 1/20 0.38
CSF1R P07333 1/20 0.38
RET P07949 1/20 0.38
MET P08581 1/20 0.38
PDGFRB P09619 1/20 0.38
PIM1 P11309 1/20 0.38
FGFR1 P11362 1/20 0.38
PRKACA P17612 1/20 0.38
FLT3 P36888 1/20 0.38

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
SCHEMBL4354849 0.92 MTNR1A (0.39) LCKIGF1RGSK3AGSK3BCDK7
SCHEMBL1933955 0.90 MTNR1A (0.38) LCKIGF1RGSK3AGSK3BCDK7
SCHEMBL1536998 0.89 LCK (0.40) LCKIGF1RGSK3AGSK3BCDK7
SCHEMBL1536772 0.86 MTNR1A (0.39) LCKIGF1RGSK3AGSK3BCDK7
SCHEMBL1536841 0.85 MTNR1A (0.42) LCKIGF1RGSK3AGSK3BCDK7
SCHEMBL1536984 0.85 LCK (0.39) LCKIGF1RGSK3AGSK3BCDK7
SCHEMBL2320089 0.85 LCK (0.40) LCKIGF1RGSK3AGSK3BCDK7
SCHEMBL1536854 0.85 GSK3B (0.52) LCKIGF1RGSK3AGSK3BCDK7
SCHEMBL2317903 0.84 LCK (0.39) LCKIGF1RGSK3AGSK3BCDK7
SCHEMBL1537055 0.84 HPGDS (0.38) LCKIGF1RGSK3AGSK3BCDK7

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 LCK 436/4885IGF1R 295/4885GSK3A 1688/4885
US-20110190489-A1 Novel Tricyclic Compounds CCNI, IL2, IL4I1 LCK 436/4885IGF1R 295/4885GSK3A 1688/4885

“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.