SCHEMBL2320459

SCHEMBL2320459

Cn1cc(-c2cc3nc(Br)cnc3n2COCC[Si](C)(C)C)cn1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 2/20 0.39
NTRK1 P04629 12/20 0.33
CSF1R P07333 12/20 0.33
NTRK2 Q16620 12/20 0.33
NTRK3 Q16288 1/20 0.33
MET P08581 2/20 0.31
ALOX5AP P20292 1/20 0.31
MAPT P10636 1/20 0.30

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
SCHEMBL1932350 0.85 NTRK1 (0.34) DGAT1NTRK1CSF1RNTRK2NTRK3
SCHEMBL2314920 0.82 DGAT1 (0.38) DGAT1NTRK1CSF1RNTRK2NTRK3
SCHEMBL2316991 0.80 MAPK1 (0.36) DGAT1NTRK1MAPT
SCHEMBL2318305 0.80 DGAT1 (0.35) DGAT1MAPT
SCHEMBL31533717 0.79 DGAT1 (0.41) DGAT1MAPT
SCHEMBL2377093 0.79 DGAT1 (0.41) DGAT1MAPT
SCHEMBL30690645 0.78 IRAK4 (0.35) DGAT1
SCHEMBL1356777 0.77 AURKA (0.33) DGAT1METMAPT
SCHEMBL2319933 0.77 GSK3B (0.42) DGAT1NTRK1
SCHEMBL12390102 0.77 GSK3B (0.35) DGAT1MAPT

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 9 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
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

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 2419/4885NTRK1 3899/4885CSF1R 1877/4885
US-20110190489-A1 Novel Tricyclic Compounds CCNI, IL2, IL4I1 DGAT1 2419/4885NTRK1 3899/4885CSF1R 1877/4885

“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.