SCHEMBL2436072

SCHEMBL2436072

Cc1nc2ccccc2nc1-c1cc2nc(Cl)cc(N(C)C3CCOCC3)n2n1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 12/20 0.70
MAPK8 P45983 1/20 0.34
MAPK10 P53779 1/20 0.34
BTK Q06187 1/20 0.34
MRGPRX2 Q96LB1 1/20 0.34
ABCB1 P08183 1/20 0.33
CFTR P13569 1/20 0.33
HPGD P15428 1/20 0.33
CYP2D6 P10635 1/20 0.33
CHRM1 P11229 1/20 0.33
HRH1 P35367 1/20 0.33
PDE6D O43924 1/20 0.32
PDE5A O76074 1/20 0.32
PDE6A P16499 1/20 0.32
PDE6G P18545 1/20 0.32
PDE4A P27815 1/20 0.32
PDE6B P35913 1/20 0.32
PDE6C P51160 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 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
SCHEMBL2408367 0.85 PDE10A (0.81) PDE10APDE6DPDE5APDE6APDE6G
Hydrochloric Acid SCHEMBL2407259 0.84 PDE10A (0.81) PDE10APDE6DPDE5APDE6APDE6G
SCHEMBL16524418 0.83 PDE10A (0.53) PDE10ACFTRCYP2D6CHRM1HRH1
SCHEMBL30510964 0.82 PDE10A (1.00) PDE10AMAPK8MAPK10BTKMRGPRX2
SCHEMBL30628016 0.82 PDE10A (1.00) PDE10AMAPK8MAPK10BTKMRGPRX2
SCHEMBL6900869 0.82 PDE10A (1.00) PDE10AMAPK8MAPK10BTKMRGPRX2
SCHEMBL2434725 0.82 PDE10A (0.61) PDE10APDE6DPDE5APDE6APDE6G
SCHEMBL2438779 0.80 PDE10A (0.48) PDE10AHPGDPDE6DPDE5APDE6A
SCHEMBL2440117 0.80 PDE10A (0.48) PDE10AHPGDPDE6DPDE5APDE6A
SCHEMBL2437251 0.75 PDE10A (0.41) PDE10AHPGDKDM4EALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2539342-B1 PYRAZOLOPYRIMIDINE COMPOUNDS AND THEIR USE AS PDE10 INHIBITORS MITSUBISHI TANABE PHARMA CORP (JP) 2015-04-15 EP disclosed
US-8969376-B2 Pyrazolopyrimidine compounds and their use as PDE10 inhibitors MITSUBISHI TANABE PHARMA CORPORATION (JP) 2015-03-03 US disclosed
EP-2539342-A1 PYRAZOLOPYRIMIDINE COMPOUNDS AND THEIR USE AS PDE10 INHIBITORS Mitsubishi Tanabe Pharma Corporation (JP) 2013-01-02 EP disclosed
US-20120309754-A1 PYRAZOLOPYRIMIDINE COMPOUNDS AND THEIR USE AS PDE10 INHIBITORS MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-12-06 US disclosed
WO-2011105628-A1 PYRAZOLOPYRIMIDINE COMPOUNDS AND THEIR USE AS PDE10 INHIBITORS MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-09-01 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-20120309754-A1 PYRAZOLOPYRIMIDINE COMPOUNDS AND THEIR USE AS PDE10 INHIBITORS PDE3B, PDE3A, PDE5A PDE10A 5/4885MAPK8 344/4885MAPK10 35/4885

“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.