SCHEMBL2318263

SCHEMBL2318263

Cc1ccc(S(=O)(=O)n2c(-c3cccc(CC(=O)NCCN4CCN(C)CC4)c3)cc3c4c(cnc32)cnn4C)cc1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM5B Q9UGL1 11/20 0.41
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA9 Q16790 2/20 0.36
RAD52 P43351 1/20 0.36
NMT1 P30419 1/20 0.35
PRMT5 O14744 1/20 0.35
WDR77 Q9BQA1 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 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
SCHEMBL2314706 0.93 POLB (0.46) ALDH1A1POLBCA1CA2CA9
SCHEMBL2317428 0.87 PTGDR2 (0.36)
SCHEMBL2315602 0.87 ALDH1A1 (0.38) ALDH1A1POLBMEN1KMT2A
SCHEMBL2314989 0.85 PTGDR2 (0.33) PRMT5WDR77
SCHEMBL2319064 0.84 PTGDR2 (0.44)
SCHEMBL2315466 0.82 IKBKB (0.41) KMT2A
SCHEMBL2315139 0.82 MAPK8 (0.46) ALDH1A1POLB
SCHEMBL2319766 0.80 PIK3CD (0.41) ALDH1A1NMT1
SCHEMBL12390205 0.79 BRD4 (0.38) POLBPRMT5WDR77MEN1KMT2A
SCHEMBL2321770 0.78 POLB (0.46) ALDH1A1POLBCA2CA9

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 11 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
CN-102711470-A Novel tricyclic compounds ABBOTT LAB 2012-10-03 CN 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

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 KDM5B 3242/4885ALDH1A1 305/4885POLB 2384/4885
US-20110190489-A1 Novel Tricyclic Compounds CCNI, IL2, IL4I1 KDM5B 3242/4885ALDH1A1 305/4885POLB 2384/4885

“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.