SCHEMBL1015185

SCHEMBL1015185

O=C(Cc1cccc2c1cnn2S(=O)(=O)c1ccccc1)c1ccncc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 11/20 0.47
PLOD2 O00469 1/20 0.39
PLOD3 O60568 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
HPGD P15428 1/20 0.39
CYP2C19 P33261 1/20 0.39
PLOD1 Q02809 1/20 0.39
HIF1A Q16665 1/20 0.39
HTR1A P08908 3/20 0.37
HTR7 P34969 3/20 0.37
HTR2B P41595 1/20 0.37
HDAC3 O15379 2/20 0.36
HDAC4 P56524 2/20 0.36
HDAC1 Q13547 2/20 0.36
HDAC7 Q8WUI4 2/20 0.36
HDAC2 Q92769 2/20 0.36

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
SCHEMBL1016215 0.82 ALDH1A1 (0.36) HTR6PLOD2PLOD3ALDH1A1CYP1A2
SCHEMBL1014095 0.80 HTR6 (0.58) HTR6HTR1AHTR7HTR2BHDAC3
SCHEMBL12970761 0.70 HTR6 (0.59) HTR6HTR1AHTR7HTR2BHDAC3
SCHEMBL797697 0.70 HTR6 (0.59) HTR6ALDH1A1HPGDHTR1AHTR7
SCHEMBL20488617 0.69 HTR6 (0.47) HTR6SLC9A1L3MBTL1
SCHEMBL23569703 0.69 HTR6 (0.57) HTR6ALDH1A1HPGDHTR1AHTR7
SCHEMBL1017591 0.68 KMT2A (0.55) HTR6HTR1AHTR7HTR2BHDAC3
SCHEMBL1015826 0.68 HTR6 (0.56) HTR6ALDH1A1HPGDHTR1AHTR7
SCHEMBL3922110 0.66 HTR6 (0.73) HTR6CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL4074280 0.65 HTR6 (0.50) HTR6

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 6 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
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
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
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 4687/4885PLOD2 4370/4885PLOD3 4591/4885

“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.