SCHEMBL2321809

SCHEMBL2321809

Cc1ccc(S(=O)(=O)n2c(-c3cccc(S(=O)(=O)N(C)C)c3)cc3c4c(cnc32)cnn4C)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.41
HPGD P15428 2/20 0.41
GFER P55789 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
HSD17B10 Q99714 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
TP53 P04637 1/20 0.41
TSHR P16473 1/20 0.41
KDM4E B2RXH2 4/20 0.36
GAA P10253 2/20 0.36
GLA P06280 1/20 0.36
MAPK1 P28482 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
JAK1 P23458 2/20 0.36
TYK2 P29597 2/20 0.36
CCNE1 P24864 1/20 0.35
CDK2 P24941 1/20 0.35
FLT3 P36888 1/20 0.35

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
SCHEMBL4357924 0.90 ACVR1 (0.38) PTGDR2
SCHEMBL16245121 0.89 MAOA (0.39) TSHRGAACCNE1CDK2LMNA
SCHEMBL2316160 0.88 SYK (0.36) GAASYKPTGDR2SMN1; SMN2MAPT
SCHEMBL2315157 0.86 LMNA (0.37) ALDH1A1KMT2ATP53TSHRLMNA
SCHEMBL2318264 0.84 ACLY (0.40) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL2319238 0.83 CYP11B1 (0.39) GFERPTGDR2SMN1; SMN2
SCHEMBL2321083 0.83 BRD4 (0.42) SYKPTGDR2
SCHEMBL2320310 0.82 LATS1 (0.37) ALDH1A1HPGDMEN1KMT2AHSD17B10
SCHEMBL2316724 0.82 SYK (0.42) ALDH1A1HPGDMEN1KMT2ANPC1
SCHEMBL2319064 0.82 PTGDR2 (0.44) PTGDR2

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 ALDH1A1 305/4885HPGD 179/4885GFER 3134/4885
US-20110190489-A1 Novel Tricyclic Compounds CCNI, IL2, IL4I1 ALDH1A1 305/4885HPGD 179/4885GFER 3134/4885

“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.