SCHEMBL4818155

SCHEMBL4818155

O=S(=O)(c1ccccc1)c1nn(CC2CCNC2)c2cnccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 9/20 0.41
TDO2 P48775 2/20 0.36
KHK P50053 1/20 0.35
KDM1A O60341 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRNB2 P17787 1/20 0.35
CHRM3 P20309 1/20 0.35
CHRNA4 P43681 1/20 0.35
MERTK Q12866 2/20 0.35
PIM1 P11309 1/20 0.33
CDK4 P11802 1/20 0.33
CDK6 Q00534 1/20 0.33
PRKD3 O94806 1/20 0.33
PRKCG P05129 1/20 0.33
PRKCB P05771 1/20 0.33
PRKCA P17252 1/20 0.33
PRKACA P17612 1/20 0.33
PRKACG P22612 1/20 0.33
PRKACB P22694 1/20 0.33

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
SCHEMBL4815895 0.86 HTR6 (0.42) HTR6KHKMERTK
SCHEMBL4071303 0.83 HTR6 (0.45) HTR6TDO2KHKCHRM3
SCHEMBL4075648 0.80 HTR6 (0.42) HTR6TDO2KHKKDM1A
SCHEMBL27630666 0.77 HTR6 (0.41) HTR6KHKMERTK
SCHEMBL4071908 0.77 TDO2 (0.37) HTR6TDO2KHK
SCHEMBL4069379 0.76 HTR6 (0.48) HTR6KHKMERTK
SCHEMBL4073460 0.76 HTR6 (0.46) HTR6
SCHEMBL4074381 0.76 HTR6 (0.46) HTR6
SCHEMBL4066407 0.75 HTR6 (0.54) HTR6
SCHEMBL4070719 0.75 SYK (0.44) HTR6KHKMERTK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7411064-B2 1-Heterocyclylalkyl-3-sulfonylazaindole or -azaindazole derivatives as 5-hydroxytryptamine-6 ligands WYETH (US) 2008-08-12 US claimed
US-20060142330-A1 1-Heterocyclylalkyl-3-sulfonylazaindole or -azaindazole derivatives as 5-hydroxytryptamine-6 ligands WYETH (US) 2006-06-29 US claimed
US-20040023970-A1 1-Heterocyclylalkyl-3-sulfonylazaindole or -azaindazole derivatives as 5-hydroxytryptamine-6 ligands WYETH 2004-02-05 US claimed
US-20080306106-A1 1-HETEROCYCLYLALKYL-3-SULFONYLAZAINDOLE OR -AZAINDAZOLE DERIVATIVES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH (US) 2008-12-11 US disclosed
US-7411064-B2 1-Heterocyclylalkyl-3-sulfonylazaindole or -azaindazole derivatives as 5-hydroxytryptamine-6 ligands WYETH (US) 2008-08-12 US disclosed
US-20060142330-A1 1-Heterocyclylalkyl-3-sulfonylazaindole or -azaindazole derivatives as 5-hydroxytryptamine-6 ligands WYETH (US) 2006-06-29 US disclosed
US-7057039-B2 1-heterocyclylalkyl-3-sulfonylazaindole or -azaindazole derivatives as 5-hydroxytryptamine-6 ligands WYETH (US) 2006-06-06 US disclosed
US-20040023970-A1 1-Heterocyclylalkyl-3-sulfonylazaindole or -azaindazole derivatives as 5-hydroxytryptamine-6 ligands WYETH 2004-02-05 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 (3 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-20080306106-A1 1-HETEROCYCLYLALKYL-3-SULFONYLAZAINDOLE OR -AZAINDAZOLE DERIVATIVES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS HTR6, HTR5A, HTR2C HTR6 1/4885TDO2 426/4885KHK 3050/4885
US-20040023970-A1 1-Heterocyclylalkyl-3-sulfonylazaindole or -azaindazole derivatives as 5-hydroxytryptamine-6 ligands HTR6, HTR1A, HTR5A HTR6 1/4885TDO2 457/4885KHK 3230/4885
US-20060142330-A1 1-Heterocyclylalkyl-3-sulfonylazaindole or -azaindazole derivatives as 5-hydroxytryptamine-6 ligands HTR6, HTR5A, HTR2C HTR6 1/4885TDO2 426/4885KHK 3050/4885

“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.