SCHEMBL12389652

SCHEMBL12389652

CC(=O)c1ccc(-c2cc3c(ncc4nccn43)n2COCC[Si](C)(C)C)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.39
MAPT P10636 1/20 0.37
TTK P33981 10/20 0.35
AURKA O14965 1/20 0.34
DAPK3 O43293 1/20 0.34
JAK2 O60674 1/20 0.34
MAP4K4 O95819 1/20 0.34
ABL1 P00519 1/20 0.34
NTRK1 P04629 1/20 0.34
CSF1R P07333 1/20 0.34
RET P07949 1/20 0.34
FGFR1 P11362 1/20 0.34
PRKACA P17612 1/20 0.34
KDR P35968 1/20 0.34
MAP2K2 P36507 1/20 0.34
MAPK8 P45983 1/20 0.34
CDK8 P49336 1/20 0.34
GSK3A P49840 1/20 0.34
GSK3B P49841 1/20 0.34
RPS6KA3 P51812 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
SCHEMBL16261059 0.83 NPC1 (0.39) NPC1MAPTRAD52FYNPTGS2
SCHEMBL2319333 0.79 AURKA (0.35) NPC1MAPTTTKAURKADAPK3
SCHEMBL12389653 0.76 NPC1 (0.41) NPC1MAPTABL1KDRRAD52
SCHEMBL1934402 0.73 GSK3B (0.38) AURKAJAK2ABL1NTRK1CSF1R
SCHEMBL2360060 0.72 DGAT1 (0.35) NPC1MAPTBRD4CREBBP
SCHEMBL2320329 0.71
SCHEMBL2320324 0.68
SCHEMBL2318529 0.68 FLT3 (0.36) NPC1MAPTNTRK1RETACVR1
SCHEMBL2317262 0.67 BRD4 (0.36) NPC1MAPTFYNBRD4
SCHEMBL1932973 0.67 DGAT1 (0.39) NPC1MAPTPTGS1PTGS2

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 7 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-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-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

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 NPC1 685/4885MAPT 3798/4885TTK 1904/4885
US-20110190489-A1 Novel Tricyclic Compounds CCNI, IL2, IL4I1 NPC1 685/4885MAPT 3798/4885TTK 1904/4885

“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.