SCHEMBL2315228

SCHEMBL2315228

Cc1ncc2cnc3c(cc(-c4cccc(S(C)(=O)=O)c4)n3COCC[Si](C)(C)C)n12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 7/20 0.37
PIK3CB P42338 1/20 0.34
MTOR P42345 1/20 0.34
PRKDC P78527 1/20 0.34
ATM Q13315 1/20 0.34
ATR Q13535 1/20 0.34
ATRIP Q8WXE1 1/20 0.34
NR1H2 P55055 3/20 0.33
ACVR1 Q04771 1/20 0.33
LOXL2 Q9Y4K0 1/20 0.33
NPC1 O15118 1/20 0.33
DYRK3 O43781 1/20 0.33
CCNT1 O60563 1/20 0.33
CCNA2 P20248 1/20 0.33
CDK2 P24941 1/20 0.33
CDK9 P50750 1/20 0.33
CDK5 Q00535 1/20 0.33
DYRK1A Q13627 1/20 0.33
CDK5R1 Q15078 1/20 0.33
DYRK2 Q92630 1/20 0.33

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
SCHEMBL2315531 0.88 DGAT1 (0.35) KCNH2NR1H2LOXL2DGAT1NR1H3
SCHEMBL2319988 0.84 KCNH2 (0.35) KCNH2NR1H2NPC1DYRK3CCNT1
SCHEMBL2320132 0.83 PIK3CB (0.38) KCNH2PIK3CBMTORPRKDCATM
SCHEMBL2317935 0.82 PRKDC (0.40) KCNH2PIK3CBMTORPRKDCATM
SCHEMBL2315378 0.81 TDP1 (0.36) NPC1DGAT1
SCHEMBL2316450 0.81 JAK2 (0.36) KCNH2PIK3CBMTORPRKDCATM
SCHEMBL2316599 0.80 NAMPT (0.32) KCNH2NR1H2NPC1JAK2PTK2
SCHEMBL2319413 0.78 DGAT1 (0.32) DGAT1
SCHEMBL2319675 0.76 CAMK2D (0.46)
SCHEMBL2317105 0.73 CHEK1 (0.34) NPC1FYNDGAT1

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 KCNH2 738/4885PIK3CB 870/4885MTOR 397/4885
US-20110190489-A1 Novel Tricyclic Compounds CCNI, IL2, IL4I1 KCNH2 738/4885PIK3CB 870/4885MTOR 397/4885

“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.