SCHEMBL1932784

SCHEMBL1932784

CCc1c(I)n(S(=O)(=O)c2ccc(C)cc2)c2ncc3cnn(C)c3c12

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 1/20 0.34
▸ L3MBTL1 Q9Y468 3/20 0.33
▸ NOD1 Q9Y239 3/20 0.33
▸ ALDH3A1 P30838 2/20 0.33
▸ HTT P42858 2/20 0.33
▸ POLB P06746 1/20 0.33
▸ NPC1 O15118 1/20 0.32
▸ PKM P14618 1/20 0.32
▸ NOD2 Q9HC29 2/20 0.32
▸ CXCL8 P10145 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ RAPGEF4 Q8WZA2 1/20 0.32
▸ PDE5A O76074 1/20 0.32
▸ PDE4A P27815 1/20 0.32
▸ PDE4B Q07343 1/20 0.32
▸ PDE4C Q08493 1/20 0.32
▸ PDE4D Q08499 1/20 0.32
▸ ALDH1A1 P00352 3/20 0.32
▸ TSHR P16473 2/20 0.32
▸ NFE2L2 Q16236 1/20 0.32

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
SCHEMBL2318721 0.82 MTOR (0.34) PTGDR2NOD1ALDH3A1NPC1PKM
SCHEMBL16245000 0.81 PTGDR2 (0.32) PTGDR2NOD1ALDH3A1HTTNOD2
SCHEMBL2318609 0.81 MAPT (0.41) PTGDR2NOD1HTTPOLBCXCL8
SCHEMBL16245234 0.80 NR1H3 (0.36) ALDH3A1ALDH1A1
SCHEMBL2317311 0.78 EED (0.34) NOD1ALDH3A1NOD2LMNA
SCHEMBL2317810 0.78 ALDH1A1 (0.36) HTTGAAALDH1A1TSHRKDM4E
SCHEMBL16245259 0.78 PIK3CA (0.37) POLBGAAALDH1A1KDM4EHPGD
SCHEMBL2315337 0.78 PCSK9 (0.35) PTGDR2L3MBTL1NOD1ALDH3A1HTT
SCHEMBL1933914 0.78 RAPGEF4 (0.39) L3MBTL1NOD1ALDH3A1HTTPOLB
SCHEMBL2318104 0.76 PTGDR2 (0.36) PTGDR2L3MBTL1NOD1ALDH3A1HTT

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 12 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
EP-2506713-A1 NOVEL TRICYCLIC COMPOUNDS Abbott Laboratories (US) 2012-10-10 — — EP 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
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 PTGDR2 237/4885L3MBTL1 4805/4885NOD1 457/4885
US-20110190489-A1 Novel Tricyclic Compounds CCNI, IL2, IL4I1 PTGDR2 237/4885L3MBTL1 4805/4885NOD1 457/4885

“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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