SCHEMBL2317311

SCHEMBL2317311

CCc1c(-c2ccc3c(ccn3C)c2)n(S(=O)(=O)c2ccc(C)cc2)c2ncc3cnn(C)c3c12

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ EED O75530 1/20 0.34
▸ THRB P10828 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ GRM2 Q14416 1/20 0.33
▸ CACNA1H O95180 1/20 0.33
▸ TP53 P04637 1/20 0.32
▸ MCHR1 Q99705 1/20 0.32
▸ SRC P12931 3/20 0.32
▸ ABL1 P00519 2/20 0.32
▸ HTR6 P50406 1/20 0.32
▸ ALDH3A1 P30838 1/20 0.31
▸ NOD2 Q9HC29 1/20 0.31
▸ NOD1 Q9Y239 1/20 0.31
▸ LGMN Q99538 1/20 0.31
▸ HSD11B1 P28845 1/20 0.31
▸ CCNC P24863 1/20 0.31
▸ CDK8 P49336 1/20 0.31
▸ USP7 Q93009 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
SCHEMBL16245234 0.83 NR1H3 (0.36) GRM2ALDH3A1
SCHEMBL16245000 0.83 PTGDR2 (0.32) ALDH3A1NOD2NOD1LGMN
SCHEMBL2318609 0.83 MAPT (0.41) LMNANOD1
SCHEMBL2315337 0.83 PCSK9 (0.35) HTR6ALDH3A1NOD2NOD1HSD11B1
SCHEMBL2318721 0.83 MTOR (0.34) ALDH3A1NOD2NOD1HSD11B1CCNC
SCHEMBL2317026 0.81 KDM4E (0.42) LMNA
SCHEMBL2315328 0.80 EED (0.36) EEDTHRBLMNAGRM2CACNA1H
SCHEMBL2317810 0.80 ALDH1A1 (0.36) LMNATP53
SCHEMBL16245259 0.79 PIK3CA (0.37) ABL1
SCHEMBL2317292 0.79 HTR6 (0.37) EEDTP53ABL1HTR6CDK8

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 EED 3161/4885THRB 1693/4885LMNA 2396/4885
US-20110190489-A1 Novel Tricyclic Compounds CCNI, IL2, IL4I1 EED 3161/4885THRB 1693/4885LMNA 2396/4885

“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.

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