SCHEMBL2320132

SCHEMBL2320132

C[Si](C)(C)CCOCn1c(-c2cccc(S(C)(=O)=O)c2)cc2c1ncc1cnc(C3CCC(O)C3)n12

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIK3CB P42338 2/20 0.38
PRKDC P78527 2/20 0.38
ATR Q13535 2/20 0.38
ATRIP Q8WXE1 2/20 0.38
MTOR P42345 1/20 0.38
ATM Q13315 1/20 0.38
JAK2 O60674 1/20 0.36
PTK2 Q05397 1/20 0.36
KCNH2 Q12809 6/20 0.33
ACVR1 Q04771 1/20 0.32
DGAT1 O75907 3/20 0.31
CPT2 P23786 1/20 0.31
CPT1A P50416 1/20 0.31
CNR2 P34972 1/20 0.31
MAPK1 P28482 2/20 0.30
LOXL2 Q9Y4K0 1/20 0.30
DRD2 P14416 1/20 0.30
SIGMAR1 Q99720 1/20 0.30
NPC1 O15118 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
SCHEMBL2316450 0.89 JAK2 (0.36) PIK3CBPRKDCATRATRIPMTOR
SCHEMBL2317935 0.87 PRKDC (0.40) PIK3CBPRKDCATRATRIPMTOR
SCHEMBL2315228 0.83 KCNH2 (0.37) PIK3CBPRKDCATRATRIPMTOR
SCHEMBL2315531 0.80 DGAT1 (0.35) KCNH2DGAT1LOXL2
SCHEMBL2319988 0.77 KCNH2 (0.35) JAK2PTK2KCNH2NPC1
SCHEMBL2316599 0.74 NAMPT (0.32) JAK2PTK2KCNH2NPC1
SCHEMBL2316608 0.74 PIK3CB (0.39) PIK3CBPRKDCATRATRIPMTOR
SCHEMBL2317375 0.68 MTNR1A (0.34) DGAT1
SCHEMBL2317379 0.68 MTNR1A (0.34) DGAT1
SCHEMBL2317372 0.68 MTNR1A (0.34) DGAT1

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 PIK3CB 870/4885PRKDC 2154/4885ATR 4354/4885
US-20110190489-A1 Novel Tricyclic Compounds CCNI, IL2, IL4I1 PIK3CB 870/4885PRKDC 2154/4885ATR 4354/4885

“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.