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Sugi Predict / Compounds / SCHEMBL2315050

SCHEMBL2315050

SCHEMBL2315050

COc1ccc2c(c1)c(-c1cc3c(ncc4cnc(C5CCCOC5)n43)n1COCC[Si](C)(C)C)cn2C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MTNR1A P48039 7/20 0.32
▸ MTNR1B P49286 7/20 0.32
▸ LCK P06239 2/20 0.31
▸ IGF1R P08069 2/20 0.31
▸ GSK3A P49840 2/20 0.31
▸ GSK3B P49841 2/20 0.31
▸ CDK7 P50613 2/20 0.31
▸ LRRK2 Q5S007 2/20 0.31
▸ AURKB Q96GD4 2/20 0.31
▸ JAK2 O60674 1/20 0.31
▸ BTK Q06187 1/20 0.31
▸ AURKA O14965 1/20 0.31
▸ PAK4 O96013 1/20 0.31
▸ ABL1 P00519 1/20 0.31
▸ NTRK1 P04629 1/20 0.31
▸ FYN P06241 1/20 0.31
▸ CSF1R P07333 1/20 0.31
▸ RET P07949 1/20 0.31
▸ MET P08581 1/20 0.31
▸ PDGFRB P09619 1/20 0.31

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
SCHEMBL2315383 0.92 PDE1A (0.36) MTNR1AMTNR1BLCKIGF1RGSK3A
SCHEMBL2319496 0.86 MTNR1A (0.35) MTNR1AMTNR1B
SCHEMBL12390181 0.83 KLKB1 (0.36) MTNR1AMTNR1BJAK2MEN1KMT2A
SCHEMBL2317379 0.83 MTNR1A (0.34) MTNR1AMTNR1BMEN1KMT2A
SCHEMBL2317375 0.83 MTNR1A (0.34) MTNR1AMTNR1BMEN1KMT2A
SCHEMBL2317372 0.83 MTNR1A (0.34) MTNR1AMTNR1BMEN1KMT2A
SCHEMBL2319162 0.82 MTNR1A (0.34) MTNR1AMTNR1BBTKALDH1A1
SCHEMBL2318832 0.82 LCK (0.34) MTNR1AMTNR1BLCKIGF1RGSK3A
SCHEMBL2316810 0.81 LCK (0.35) MTNR1AMTNR1BLCKIGF1RGSK3A
SCHEMBL4355049 0.80 GRIK2 (0.35) 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 10 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
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 MTNR1A 1322/4885MTNR1B 826/4885LCK 436/4885
US-20110190489-A1 Novel Tricyclic Compounds CCNI, IL2, IL4I1 MTNR1A 1322/4885MTNR1B 826/4885LCK 436/4885

“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.