SCHEMBL2316599

SCHEMBL2316599

C[Si](C)(C)CCOCn1c(-c2cccc(S(C)(=O)=O)c2)cc2c1ncc1cnc(CCCNC(=O)C(F)(F)F)n12

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.32
KCNH2 Q12809 2/20 0.31
EPHX2 P34913 1/20 0.31
PTGS2 P35354 1/20 0.31
NR1H2 P55055 1/20 0.31
NR1H3 Q13133 1/20 0.31
MAPT P10636 1/20 0.31
EED O75530 1/20 0.31
SUZ12 Q15022 1/20 0.31
EZH2 Q15910 1/20 0.31
JAK2 O60674 1/20 0.30
PTK2 Q05397 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
SCHEMBL2319988 0.91 KCNH2 (0.35) NAMPTKCNH2EPHX2PTGS2NR1H2
SCHEMBL2315531 0.82 DGAT1 (0.35) KCNH2NR1H2NR1H3
SCHEMBL2315228 0.80 KCNH2 (0.37) KCNH2PTGS2NR1H2NR1H3JAK2
SCHEMBL2319158 0.79 NAMPT (0.36) NAMPTEPHX2PTGS2NR1H2NR1H3
SCHEMBL2320132 0.74 PIK3CB (0.38) KCNH2JAK2PTK2NPC1
SCHEMBL2316450 0.74 JAK2 (0.36) KCNH2EPHX2JAK2PTK2
SCHEMBL2317935 0.72 PRKDC (0.40) KCNH2NR1H2JAK2PTK2
SCHEMBL2321987 0.70 MTNR1A (0.37) JAK2
SCHEMBL16261061 0.70 MTNR1A (0.38) NAMPTKCNH2PTK2
SCHEMBL2321277 0.69 DYRK1A (0.39) PTGS2

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 NAMPT 2833/4885KCNH2 738/4885EPHX2 357/4885
US-20110190489-A1 Novel Tricyclic Compounds CCNI, IL2, IL4I1 NAMPT 2833/4885KCNH2 738/4885EPHX2 357/4885

“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.