SCHEMBL5243269

SCHEMBL5243269

COc1ccc(C2CC(O)CN(c3ncnc4c5c(c(OC)cc34)OCO5)C2)cc1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 10/20 0.57
PRKDC P78527 1/20 0.42
PDE3A Q14432 5/20 0.40
PDE1B Q01064 1/20 0.38
BTK Q06187 2/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
MDM2 Q00987 1/20 0.36
KMT2A Q03164 1/20 0.36
PDE3B Q13370 3/20 0.35
PDGFRB P09619 2/20 0.35

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
SCHEMBL5242766 0.94 PDE10A (0.57) PDE10APRKDCPDE3APDE1BBTK
SCHEMBL5242335 0.85 PDE10A (0.61) PDE10APRKDCPDE3APDE1BKDM4E
SCHEMBL5244219 0.82 PDE10A (0.83) PDE10APDE3APDE3BPDGFRB
SCHEMBL5240796 0.81 PDE10A (0.42) PDE10APRKDCPDE3APDE1BBTK
SCHEMBL3055452 0.73 PDE10A (0.83) PDE10APDE3AKDM4EALDH1A1HPGD
SCHEMBL5245236 0.73 PDE10A (1.00) PDE10APDE3APDGFRB
SCHEMBL5241297 0.73 PDE10A (1.00) PDE10APDE3APDGFRB
SCHEMBL5245250 0.73 PDE10A (1.00) PDE10APDE3APDGFRB
SCHEMBL5240784 0.71 PDE10A (0.80) PDE10APDE3APDE3BPDGFRB
SCHEMBL5351029 0.71 KDM4E (0.44) PDE10APDE3AKDM4EALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1773805-A1 QUINAZOLIN-4-YL-PIPERIDINE AND CINNOLIN-4-YL-PIPERIDINE DERIVATIVES AS PDE10 INHIBITORS FOR THE TREATMENT OF CNS DISORDERS Pfizer Products Incorporated (US) 2007-04-18 EP claimed
WO-2006011040-A1 QUINAZOLIN-4-YL- PIPERIDINE AND CINNOLIN-4-YL- PIPERIDINE DERIVATIVES AS PDE10 INHIBITORS FOR THE TREATMENT OF CNS DISORDERS PFIZER PRODUCTS INC. (US) 2006-02-02 WO claimed
US-20060019975-A1 Novel piperidyl derivatives of quinazoline and isoquinoline PFIZER INC 2006-01-26 US claimed
EP-1773805-A1 QUINAZOLIN-4-YL-PIPERIDINE AND CINNOLIN-4-YL-PIPERIDINE DERIVATIVES AS PDE10 INHIBITORS FOR THE TREATMENT OF CNS DISORDERS Pfizer Products Incorporated (US) 2007-04-18 EP disclosed
WO-2006011040-A1 QUINAZOLIN-4-YL- PIPERIDINE AND CINNOLIN-4-YL- PIPERIDINE DERIVATIVES AS PDE10 INHIBITORS FOR THE TREATMENT OF CNS DISORDERS PFIZER PRODUCTS INC. (US) 2006-02-02 WO disclosed
WO-2006011040-A1 QUINAZOLIN-4-YL- PIPERIDINE AND CINNOLIN-4-YL- PIPERIDINE DERIVATIVES AS PDE10 INHIBITORS FOR THE TREATMENT OF CNS DISORDERS PFIZER PRODUCTS INC. (US) 2006-02-02 WO disclosed
US-20060019975-A1 Novel piperidyl derivatives of quinazoline and isoquinoline PFIZER INC 2006-01-26 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 (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-20060019975-A1 Novel piperidyl derivatives of quinazoline and isoquinoline PDE5A, PDE4A, PDE3A PDE10A 12/4885PRKDC 1453/4885PDE3A 3/4885

“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.