SCHEMBL4196336

SCHEMBL4196336

O=CCc1c(Cl)nc2ccnn2c1Cl

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.40
KCNN3 Q9UGI6 7/20 0.34
KCNN1 Q92952 2/20 0.34
KCNN2 Q9H2S1 2/20 0.34
DPP4 P27487 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
SCHEMBL3199721 0.84 PDE10A (0.40) PDE10AKCNN3KCNN1KCNN2DPP4
SCHEMBL8191475 0.78 PDE10A (0.42) PDE10AKCNN3KCNN1KCNN2DPP4
SCHEMBL4187704 0.76 PDE10A (0.41) PDE10AKCNN3KCNN1KCNN2DPP4
SCHEMBL22978862 0.75 PDE10A (0.40) PDE10AKCNN3KCNN1KCNN2DPP4
SCHEMBL3198220 0.74 PDE10A (0.39) PDE10AKCNN3KCNN1KCNN2DPP4
SCHEMBL14013841 0.70 PDE10A (0.33) PDE10ADPP4
SCHEMBL1487743 0.69 PDE10A (0.47) PDE10AKCNN3KCNN1KCNN2
SCHEMBL15690186 0.69 PDE10A (0.47) PDE10AKCNN3KCNN1KCNN2
SCHEMBL22979868 0.69 KCNN3 (0.36) PDE10AKCNN3KCNN1KCNN2
SCHEMBL22979871 0.69 KCNN3 (0.36) PDE10AKCNN3KCNN1KCNN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090054472-A1 Pyrazolopyrimidine Derivatives or Pharmaceutically Acceptable Salts Thereof TEIJIN PHARMA LIMITED (JP) 2009-02-26 US disclosed
US-7473694-B2 Pyrazolopyrimidine derivatives or pharmaceutically acceptable salts thereof TEIJIN PHARMA LIMITED (JP) 2009-01-06 US disclosed
EP-1864986-A1 PYRAZOLOPYRIMIDINE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF Teijin Pharma Limited (JP) 2007-12-12 EP disclosed
US-20070173519-A1 Pyrazolopyrimidine derivatives or pharmaceutically acceptable salts thereof TEIJIN PHARMA LIMITED 2007-07-26 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 (2 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-20090054472-A1 Pyrazolopyrimidine Derivatives or Pharmaceutically Acceptable Salts Thereof MAPKAPK2, MAPKAPK5, MAPKAPK3 PDE10A 2033/4885KCNN3 752/4885KCNN1 669/4885
US-20070173519-A1 Pyrazolopyrimidine derivatives or pharmaceutically acceptable salts thereof MAPKAPK2, MAPKAPK5, MAPKAPK3 PDE10A 2033/4885KCNN3 752/4885KCNN1 669/4885

“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.