SCHEMBL675233

SCHEMBL675233

CCCC#Cc1ccc2c(c1)c1cc(Cl)cnc1n2S(=O)(=O)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 4/20 0.36
SRC P12931 1/20 0.36
PAX8 Q06710 2/20 0.34
MMP13 P45452 2/20 0.34
PTGDR2 Q9Y5Y4 4/20 0.33
PSEN1 P49768 2/20 0.33
PSEN2 P49810 2/20 0.33
APH1B Q8WW43 2/20 0.33
NCSTN Q92542 2/20 0.33
APH1A Q96BI3 2/20 0.33
PSENEN Q9NZ42 2/20 0.33
PPARG P37231 2/20 0.33
PPARA Q07869 2/20 0.33
PPARD Q03181 1/20 0.33
ACLY P53396 1/20 0.33
PTGDR Q13258 1/20 0.32

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
SCHEMBL675846 0.87 SRC (0.40) HTR6SRCPSEN1PSEN2APH1B
SCHEMBL676233 0.83 SRC (0.34) HTR6SRCPAX8MMP13PTGDR2
SCHEMBL3427912 0.83 NPC1 (0.37) HTR6PAX8
SCHEMBL676265 0.83 PTGDR2 (0.35) HTR6PAX8MMP13PTGDR2PTGDR
SCHEMBL676253 0.79 PAX8 (0.40) HTR6SRCPAX8ACLY
SCHEMBL675772 0.78 NPC1 (0.46) HTR6SRCACLY
SCHEMBL13460984 0.77 ACLY (0.43) HTR6SRCPSEN1PSEN2APH1B
SCHEMBL3664241 0.77 ACLY (0.43) HTR6SRCPSEN1PSEN2APH1B
SCHEMBL675276 0.77 HTR6 (0.43) HTR6SRCPSEN1PSEN2APH1B
SCHEMBL675385 0.77 KDM4E (0.41) HTR6SRCPSEN1PSEN2APH1B

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-8895744-B2 Alfa-carboline inhibitors of NPM-ALK, RET, and Bcr-Abl UNIVERSITA' DEGLI STUDI DI MILANO-BICOCCA (IT) 2014-11-25 US disclosed
US-20110281862-A1 ALFA-CARBOLINE INHIBITORS OF NPM-ALK, RET, AND BCR-ABL UNIVERSITA' DEGLI STUDI DI MILANO - BICOCCA (IT) 2011-11-17 US disclosed
EP-2161271-A1 Alpha-carboline inhibitors of NMP-ALK, RET, and Bcr-Abl Università Degli Studi Di Milano - Bicocca (IT) 2010-03-10 EP 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-20110281862-A1 ALFA-CARBOLINE INHIBITORS OF NPM-ALK, RET, AND BCR-ABL ALK, BCR, NPM1 HTR6 4762/4885SRC 178/4885PAX8 3014/4885

“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.