SCHEMBL2316811

SCHEMBL2316811

CN(C)S(=O)(=O)c1cccc(-c2cc3c(ncc4cnn(C)c43)[nH]2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK1 P23458 3/20 0.41
▸ TYK2 P29597 3/20 0.41
▸ ALDH1A1 P00352 5/20 0.40
▸ KDM4E B2RXH2 3/20 0.40
▸ GFER P55789 2/20 0.40
▸ GLA P06280 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ RXFP1 Q9HBX9 1/20 0.40
▸ CCNA2 P20248 2/20 0.40
▸ CDK2 P24941 2/20 0.40
▸ TTK P33981 2/20 0.40
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ HPGD P15428 2/20 0.39
▸ TP53 P04637 1/20 0.39
▸ TSHR P16473 1/20 0.39

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
SCHEMBL1537036 0.89 PIK3CA (0.41) SYKKITIKBKBCHUKBRAF
SCHEMBL2315074 0.88 KIT (0.46) CDK2TTKKITIKBKBCHUK
SCHEMBL2315101 0.87 BRAF (0.48) SYKKITIKBKBCHUKBRAF
SCHEMBL2322063 0.82 BRD4 (0.47) SYKIKBKBCHUKBRAFTNNI3K
SCHEMBL12557112 0.80 AURKA (0.41) AURKAAURKBINCENPTPX2SLC2A1
SCHEMBL12389859 0.80 SYK (0.42) ALDH1A1KDM4EGAACCNA2CDK2
SCHEMBL2318344 0.79 IKBKB (0.54) AURKAAURKBINCENPTPX2SLC2A1
SCHEMBL2318233 0.78 AURKA (0.51) AURKAAURKBINCENPTPX2SLC2A1
SCHEMBL2318898 0.77 MAPK1 (0.50) ALDH1A1MAPK1HSD17B10HPGDSYK
SCHEMBL2317767 0.77 IKBKB (0.57) TP53AURKAAURKBKITIKBKB

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-8785639-B2 Substituted dihydropyrazolo[3,4-D]pyrrolo[2,3-B]pyridines and methods of use thereof ABBVIE INC. (US) 2014-07-22 — — US claimed
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
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 JAK1 735/4885TYK2 1215/4885ALDH1A1 305/4885
US-20110190489-A1 Novel Tricyclic Compounds CCNI, IL2, IL4I1 JAK1 735/4885TYK2 1215/4885ALDH1A1 305/4885

“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.

Send feedback