SCHEMBL1933995

SCHEMBL1933995

COc1ccc2[nH]cc(-c3cc4c5c(cnc4n3S(=O)(=O)c3ccc(C)cc3)cnn5C)c2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.44
▸ HTR7 P34969 4/20 0.42
▸ HTR6 P50406 4/20 0.42
▸ HTR1A P08908 2/20 0.42
▸ GAA P10253 2/20 0.40
▸ HSP90AA1 P07900 1/20 0.37
▸ HSP90AB1 P08238 1/20 0.37
▸ PDK1 Q15118 1/20 0.37
▸ MAP3K14 Q99558 1/20 0.37
▸ PDE4B Q07343 1/20 0.37
▸ SLC6A4 P31645 1/20 0.36
▸ KDM4E B2RXH2 3/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ TP53 P04637 1/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ LMNA P02545 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ CLK1 P49759 1/20 0.34
▸ CLK2 P49760 1/20 0.34
▸ CLK3 P49761 1/20 0.34

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
SCHEMBL2319582 0.85 EED (0.39) HTR6PDK1KDM4ESMN1; SMN2CDK5
SCHEMBL12444978 0.84 EED (0.38) MAPTHTR7HTR6KDM4ETP53
SCHEMBL2319349 0.83 MAPT (0.41) MAPTGAAKDM4ELMNAHTT
SCHEMBL2315191 0.82 PDE4B (0.39) HTR7HTR6GAAPDE4BKDM4E
SCHEMBL2317775 0.82 HTR6 (0.38) MAPTHTR7HTR6GAAKDM4E
SCHEMBL2318419 0.82 EED (0.37) HTR7HTR6
SCHEMBL1777861 0.81 MAPT (0.48) MAPTHTR7HTR6HTR1AGAA
SCHEMBL5403881 0.81 MAPT (0.48) MAPTHTR7HTR6HTR1AGAA
SCHEMBL1932729 0.81 EED (0.38) MAPTHTR6KDM4ETP53LMNA
SCHEMBL1777928 0.80 MAPT (0.48) MAPTHTR7HTR6HTR1AGAA

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 MAPT 3798/4885HTR7 1534/4885HTR6 1980/4885
US-20110190489-A1 Novel Tricyclic Compounds CCNI, IL2, IL4I1 MAPT 3798/4885HTR7 1534/4885HTR6 1980/4885

“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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