SCHEMBL6128796

SCHEMBL6128796

Cc1ccc(S(=O)(=O)n2ccc3c(N[C@H]4CCNC4)ncnc32)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 4/20 0.45
MAOB P27338 1/20 0.45
RPS6KB1 P23443 3/20 0.42
TP53 P04637 3/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
LMNA P02545 1/20 0.40
BRD4 O60885 2/20 0.39
ATAD2 Q6PL18 2/20 0.39
AURKA O14965 2/20 0.37
IKBKB O14920 2/20 0.37
CCR6 P51684 1/20 0.37
MAPK8 P45983 1/20 0.37
GRM1 Q13255 1/20 0.37
PAK1 Q13153 1/20 0.37
USP2 O75604 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.36
TSHR P16473 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36
IRAK4 Q9NWZ3 1/20 0.36

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
SCHEMBL10228636 1.00 HTR6 (0.45) HTR6MAOBRPS6KB1TP53L3MBTL1
SCHEMBL6128887 0.94 RPS6KB1 (0.44) HTR6MAOBRPS6KB1TP53L3MBTL1
SCHEMBL17545830 0.94 RPS6KB1 (0.44) HTR6MAOBRPS6KB1TP53L3MBTL1
SCHEMBL17583145 0.94 TP53 (0.43) HTR6RPS6KB1TP53L3MBTL1LMNA
SCHEMBL17545959 0.93 TP53 (0.45) HTR6MAOBRPS6KB1TP53L3MBTL1
SCHEMBL10228229 0.92 L3MBTL1 (0.43) HTR6MAOBTP53L3MBTL1LMNA
SCHEMBL18419022 0.85 TP53 (0.54) TP53L3MBTL1LMNAALDH1A1TSHR
SCHEMBL16764865 0.85 TP53 (0.38) HTR6MAOBTP53L3MBTL1LMNA
SCHEMBL31124371 0.84 TP53 (0.43) TP53L3MBTL1LMNACCR6GRM1
SCHEMBL17966303 0.82 GRIN2B (0.38) HTR6TP53L3MBTL1LMNABRD4

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170027956-A1 HETEROCYCLIC TYROSINE KINASE INHIBITORS BIOGEN IDEC MA INC. 2017-02-02 US disclosed
US-20170027956-A1 HETEROCYCLIC TYROSINE KINASE INHIBITORS BIOGEN IDEC MA INC. 2017-02-02 US disclosed
US-9273028-B2 Heterocyclic tyrosine kinase inhibitors BIOGEN MA INC. (US) 2016-03-01 US disclosed
US-9273028-B2 Heterocyclic tyrosine kinase inhibitors BIOGEN MA INC. (US) 2016-03-01 US disclosed
WO-2012058645-A1 HETEROCYCLIC TYROSINE KINASE INHIBITORS BIOGEN IDEC MA INC. (US) 2012-05-03 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 (1 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-20170027956-A1 HETEROCYCLIC TYROSINE KINASE INHIBITORS TEC, ABL1, LCK HTR6 3831/4885MAOB 1808/4885RPS6KB1 867/4885

“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.