SCHEMBL2021422

SCHEMBL2021422

CN(C)c1nc2ccccc2nc1C=Cc1nc(N2CCCC2)cc(N2CCOCC2)n1

nearest known ligand 0.73

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PDE10A Q9Y233 10/20 0.73
▸ KDM4E B2RXH2 3/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ HTT P42858 2/20 0.41
▸ PIK3CB P42338 1/20 0.41
▸ POLB P06746 1/20 0.40
▸ ATM Q13315 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ PKM P14618 1/20 0.39

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
SCHEMBL2021420 1.00 PDE10A (0.73) PDE10AKDM4EALDH1A1GAAHPGD
SCHEMBL2023575 0.86 PDE10A (0.63) PDE10AKDM4EALDH1A1GAAHPGD
SCHEMBL2023576 0.86 PDE10A (0.63) PDE10AKDM4EALDH1A1GAAHPGD
SCHEMBL2021918 0.85 PDE10A (0.71) PDE10AKDM4EALDH1A1GAAHPGD
SCHEMBL2021920 0.85 PDE10A (0.71) PDE10AKDM4EALDH1A1GAAHPGD
SCHEMBL2177278 0.85 PDE10A (0.55) PDE10AKDM4EALDH1A1GAAHPGD
SCHEMBL2177268 0.85 PDE10A (0.55) PDE10AKDM4EALDH1A1GAAHPGD
Hydrochloric Acid SCHEMBL2020311 0.85 PDE10A (0.70) PDE10AKDM4EALDH1A1GAAHPGD
SCHEMBL2024123 0.85 PDE10A (0.70) PDE10AKDM4EALDH1A1GAAHPGD
Hydrochloric Acid SCHEMBL2020313 0.85 PDE10A (0.70) PDE10AKDM4EALDH1A1GAAHPGD

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-2350027-A1 TRI-SUBSTITUTED PYRIMIDINE COMPOUNDS AND THEIR USE AS PDE10 INHIBITORS Mitsubishi Tanabe Pharma Corporation (JP) 2011-08-03 — — EP claimed
US-20110160206-A1 TRI-SUBSTITUTED PYRIMIDINE COMPOUNDS AND THEIR USE AS PDE10 INHIBITORS MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-06-30 — — US claimed
WO-2010027097-A1 TRI-SUBSTITUTED PYRIMIDINE COMPOUNDS AND THEIR USE AS PDE10 INHIBITORS MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-03-11 — — WO claimed
EP-2350027-A1 TRI-SUBSTITUTED PYRIMIDINE COMPOUNDS AND THEIR USE AS PDE10 INHIBITORS Mitsubishi Tanabe Pharma Corporation (JP) 2011-08-03 — — EP disclosed
US-20110160206-A1 TRI-SUBSTITUTED PYRIMIDINE COMPOUNDS AND THEIR USE AS PDE10 INHIBITORS MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-06-30 — — US disclosed
WO-2010027097-A1 TRI-SUBSTITUTED PYRIMIDINE COMPOUNDS AND THEIR USE AS PDE10 INHIBITORS MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-03-11 — — 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 (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-20110160206-A1 TRI-SUBSTITUTED PYRIMIDINE COMPOUNDS AND THEIR USE AS PDE10 INHIBITORS PDE10A, PDE12, PDE9A PDE10A 1/4885KDM4E 322/4885ALDH1A1 866/4885

“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.

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