SCHEMBL17545830

SCHEMBL17545830

Cc1ccc(S(=O)(=O)n2ccc3c(N[C@H]4CCCNC4)ncnc32)cc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RPS6KB1 P23443 8/20 0.44
AURKA O14965 3/20 0.44
TP53 P04637 3/20 0.43
LMNA P02545 1/20 0.43
PDPK1 O15530 6/20 0.41
BRD4 O60885 1/20 0.41
CHEK1 O14757 3/20 0.41
MAOB P27338 1/20 0.40
HTR6 P50406 1/20 0.40
ADORA3 P0DMS8 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
AURKB Q96GD4 1/20 0.39
IRAK4 Q9NWZ3 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
SCHEMBL6128887 1.00 RPS6KB1 (0.44) RPS6KB1AURKATP53LMNAPDPK1
SCHEMBL17545959 0.97 TP53 (0.45) RPS6KB1AURKATP53LMNAPDPK1
SCHEMBL10228636 0.94 HTR6 (0.45) RPS6KB1AURKATP53LMNABRD4
SCHEMBL6128796 0.94 HTR6 (0.45) RPS6KB1AURKATP53LMNABRD4
SCHEMBL10228229 0.90 L3MBTL1 (0.43) TP53LMNAMAOBHTR6ADORA3
SCHEMBL17583145 0.88 TP53 (0.43) RPS6KB1AURKATP53LMNAHTR6
SCHEMBL18419022 0.88 TP53 (0.54) TP53LMNAADORA3ADORA2AADORA1
SCHEMBL16764865 0.83 TP53 (0.38) TP53LMNAMAOBHTR6ADORA3
SCHEMBL31124371 0.82 TP53 (0.43) TP53LMNAADORA3ADORA2AADORA1
SCHEMBL17546629 0.82 TP53 (0.42) TP53LMNAHTR6ADORA3ADORA2A

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 2 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-9273028-B2 Heterocyclic tyrosine kinase inhibitors BIOGEN MA INC. (US) 2016-03-01 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 (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 RPS6KB1 867/4885AURKA 69/4885TP53 452/4885

“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.