SCHEMBL1016909

SCHEMBL1016909

O=Cc1ccc(F)c2c1cnn2S(=O)(=O)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 3/20 0.39
SLC9A1 P19634 1/20 0.38
KDM4E B2RXH2 2/20 0.33
GPR183 P32249 1/20 0.33
PKM P14618 1/20 0.33
UBE2N P61088 1/20 0.33
DPP4 P27487 1/20 0.33
HTR2A P28223 1/20 0.33
KCNH2 Q12809 1/20 0.33
CYP2C19 P33261 3/20 0.33
CYP1A2 P05177 2/20 0.33
CYP2C9 P11712 2/20 0.33
HTT P42858 2/20 0.33
ALDH1A1 P00352 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
MAPT P10636 2/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
NPSR1 Q6W5P4 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
SCHEMBL1015826 0.77 HTR6 (0.56) HTR6SLC9A1KDM4EUBE2NHTT
SCHEMBL28960638 0.71 ERN1 (0.38) KDM4EPKMHTTALDH1A1MEN1
SCHEMBL1016215 0.70 ALDH1A1 (0.36) HTR6CYP2C19CYP1A2CYP2C9ALDH1A1
SCHEMBL31411447 0.67 MAPT (0.40) SLC9A1KDM4EPKMHTTALDH1A1
SCHEMBL14665921 0.64 HTR6 (0.45) HTR6SLC9A1CYP2C19CYP1A2CYP2C9
SCHEMBL29951202 0.62 ERN1 (0.47) KDM4EHTTALDH1A1MEN1KMT2A
SCHEMBL485577 0.62 ERN1 (0.47) KDM4EHTTALDH1A1MEN1KMT2A
SCHEMBL19584848 0.62 F2RL1 (0.42) KDM4EPKMHTTALDH1A1MEN1
SCHEMBL17927624 0.62 HDAC3 (0.50) HTR6SLC9A1HTTMEN1KMT2A
SCHEMBL12970761 0.62 HTR6 (0.59) HTR6SLC9A1HTR2AHTTMEN1

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
EP-2271649-A1 BRIDGED, BICYCLIC HETEROCYCLIC OR SPIRO BICYCLIC HETEROCYCLIC DERIVATIVES OF PYRAZOLO[1,5-A]PYRIMIDINES, METHODS FOR PREPARATION AND USES THEREOF Wyeth LLC (US) 2011-01-12 EP disclosed
US-20100029657-A1 Bridged, Bicyclic Heterocyclic or Spiro Bicyclic Heterocyclic Derivatives of Pyrazolo[1, 5-A]Pyrimidines, Methods for Preparation and Uses Thereof WYETH (US) 2010-02-04 US disclosed
WO-2009108838-A1 BRIDGED, BICYCLIC HETEROCYCLIC OR SPIRO BICYCLIC HETEROCYCLIC DERIVATIVES OF PYRAZOLO[1,5-A]PYRIMIDINES, METHODS FOR PREPARATION AND USES THEREOF WYETH (US) 2009-09-03 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 (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-20100029657-A1 Bridged, Bicyclic Heterocyclic or Spiro Bicyclic Heterocyclic Derivatives of Pyrazolo[1, 5-A]Pyrimidines, Methods for Preparation and Uses Thereof BRAF, RAF1, ARAF HTR6 4687/4885SLC9A1 1839/4885KDM4E 3240/4885

“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.