SCHEMBL3894489

SCHEMBL3894489

O=S(=O)(c1ccc(F)cc1)c1c[nH]c2ncccc12

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 3/20 0.76
COMT P21964 2/20 0.52
HTR6 P50406 4/20 0.48
CDC7 O00311 1/20 0.45
ROCK2 O75116 1/20 0.45
MAP4K4 O95819 1/20 0.45
PIM1 P11309 1/20 0.45
PRKACA P17612 1/20 0.45
CDK2 P24941 1/20 0.45
GSK3B P49841 1/20 0.45
HIPK2 Q9H2X6 1/20 0.45
CLK4 Q9HAZ1 1/20 0.45
IRAK4 Q9NWZ3 1/20 0.45
KMT2A Q03164 2/20 0.44
AXL P30530 1/20 0.44
MEN1 O00255 1/20 0.43
GPR84 Q9NQS5 1/20 0.43
HTR1A P08908 1/20 0.43
HTR2A P28223 1/20 0.43
HTR7 P34969 1/20 0.43

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
SCHEMBL3889418 0.87 MET (1.00) METHTR6CDC7KMT2AAXL
SCHEMBL28094884 0.86 MET (0.76) METCOMTKMT2AAXLMEN1
SCHEMBL30286786 0.81 MET (0.53) METCDC7ROCK2MAP4K4PIM1
SCHEMBL21545936 0.81 MET (0.53) METCDC7ROCK2MAP4K4PIM1
SCHEMBL27538994 0.80 MET (0.52) METCOMTCDC7ROCK2MAP4K4
SCHEMBL28315134 0.75 MET (0.65) METCDK2KMT2AAXLGPR84
SCHEMBL29385908 0.75 MET (0.65) METCDC7ROCK2MAP4K4PIM1
SCHEMBL30286312 0.75 MET (0.65) METCDK2KMT2AAXLGPR84
SCHEMBL15064398 0.75 MET (0.65) METCDC7ROCK2MAP4K4PIM1
SCHEMBL859112 0.75 GPR84 (0.51) METCDC7CDK2KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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
EP-1509522-A1 1-(AMINOALKYL)-3-SULFONYLAZAINDOLES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS Wyeth, A Corporation of the State of Delaware (US) 2005-03-02 EP 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
WO-2003101990-A1 1-(AMINOALKYL)-3-SULFONYLAZAINDOLES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH (US) 2003-12-11 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 (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 MET 1096/4885COMT 674/4885HTR6 1/4885
US-20050085481-A1 1-(aminoalkyl)-3-sulfonylazaindoles as 5-hydroxytryptamine-6 ligands HTR6, HTR3B, HTR1A MET 1096/4885COMT 674/4885HTR6 1/4885
US-20030236278-A1 1-(aminoalkyl)-3-sulfonylazaindoles as 5-hydroxytryptamine-6 ligands HTR6, HTR1A, HTR3B MET 1033/4885COMT 686/4885HTR6 1/4885

“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.