SCHEMBL3885901

SCHEMBL3885901

CN(C)CCn1cc(-c2cccs2)c2cccnc21

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 11/20 0.61
▸ GSK3B P49841 5/20 0.52
▸ CCNB2 O95067 1/20 0.49
▸ CDK1 P06493 1/20 0.49
▸ CCNB1 P14635 1/20 0.49
▸ CCNB3 Q8WWL7 1/20 0.49
▸ HTR2A P28223 3/20 0.48
▸ HTR2C P28335 3/20 0.48
▸ HTR7 P34969 3/20 0.48
▸ DRD3 P35462 1/20 0.48
▸ PRKCB P05771 3/20 0.46
▸ PRKCG P05129 2/20 0.46
▸ PRKCA P17252 2/20 0.46
▸ DYRK1A Q13627 2/20 0.43
▸ MAOB P27338 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
SCHEMBL3885563 0.77 GSK3B (0.66) HTR6GSK3BCCNB2CDK1CCNB1
SCHEMBL4341975 0.69 GSK3B (1.00) GSK3BCCNB2CDK1CCNB1CCNB3
SCHEMBL13687088 0.68 HTR6 (1.00) HTR6HTR2AHTR2CHTR7DRD3
SCHEMBL3892738 0.67 HTR2A (0.57) HTR6HTR2AHTR2CHTR7DRD3
Hydrochloric Acid SCHEMBL3885084 0.67 HTR6 (0.98) HTR6HTR2AHTR2CHTR7DRD3
SCHEMBL3763115 0.67 CDK1 (1.00) GSK3BCCNB2CDK1CCNB1CCNB3
SCHEMBL3887023 0.65 HTR6 (1.00) HTR6GSK3BHTR2AHTR2CHTR7
SCHEMBL13221693 0.65 GSK3B (0.82) GSK3BCCNB2CDK1CCNB1CCNB3
SCHEMBL4569767 0.65 DYRK1A (0.50) HTR6HTR2AHTR2CHTR7DRD3
SCHEMBL28195485 0.64 GSK3B (0.66) GSK3BPRKCA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1509522-B1 1-(AMINOALKYL)-3-SULFONYLAZAINDOLES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH CORP (US) 2007-02-28 — — EP claimed
US-6825212-B2 SEROTONINE RECEPTORS ANTAGONIST; CENTRAL NERVOUS SYSTEM DISORDERS WYETH 2004-11-30 — — US claimed
US-20030236278-A1 1-(aminoalkyl)-3-sulfonylazaindoles as 5-hydroxytryptamine-6 ligands WYETH (US) 2003-12-25 — — US claimed
US-7585873-B2 antiserotonine agents; central nervous system disorders; Alzheimer's disease; 3-(Phenylthio)-1H-pyrrolo[2,3-b]pyridine WYETH (US) 2009-09-08 — — US disclosed
EP-1509522-B1 1-(AMINOALKYL)-3-SULFONYLAZAINDOLES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH CORP (US) 2007-02-28 — — EP disclosed
US-7074792-B2 1-(aminoalkyl)-3-sulfonylazaindoles as 5-hydroxytryptamine-6 ligands WYETH (US) 2006-07-11 — — US disclosed
US-20060148831-A1 1-(aminoalkyl)-3-sulfonylazaindoles as 5-hydroxytryptamine-6 ligands WYETH (US) 2006-07-06 — — US disclosed
US-20050085481-A1 1-(aminoalkyl)-3-sulfonylazaindoles as 5-hydroxytryptamine-6 ligands WYETH (US) 2005-04-21 — — US disclosed
US-6825212-B2 SEROTONINE RECEPTORS ANTAGONIST; CENTRAL NERVOUS SYSTEM DISORDERS WYETH 2004-11-30 — — US disclosed
US-20030236278-A1 1-(aminoalkyl)-3-sulfonylazaindoles as 5-hydroxytryptamine-6 ligands WYETH (US) 2003-12-25 — — 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-20060148831-A1 1-(aminoalkyl)-3-sulfonylazaindoles as 5-hydroxytryptamine-6 ligands HTR6, HTR3B, HTR1A HTR6 1/4885GSK3B 3955/4885CCNB2 4029/4885
US-20050085481-A1 1-(aminoalkyl)-3-sulfonylazaindoles as 5-hydroxytryptamine-6 ligands HTR6, HTR3B, HTR1A HTR6 1/4885GSK3B 3955/4885CCNB2 4029/4885
US-20030236278-A1 1-(aminoalkyl)-3-sulfonylazaindoles as 5-hydroxytryptamine-6 ligands HTR6, HTR1A, HTR3B HTR6 1/4885GSK3B 4018/4885CCNB2 4088/4885

“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.

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