SCHEMBL833836

SCHEMBL833836

CN(C)C=CC(=O)c1ccc(OC(F)F)c(OCC2CC2)c1

nearest known ligand 0.63

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 17/20 0.63
PDE4D Q08499 13/20 0.63
PDE4A P27815 9/20 0.63
PDE4C Q08493 9/20 0.63
ABCB11 O95342 1/20 0.52
LMNA P02545 1/20 0.51
MAPT P10636 1/20 0.51

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
SCHEMBL833835 1.00 PDE4B (0.63) PDE4BPDE4DPDE4APDE4CABCB11
SCHEMBL3610006 0.85 MAPT (0.65) PDE4BPDE4DPDE4APDE4CLMNA
SCHEMBL3609373 0.85 MAPT (0.65) PDE4BPDE4DPDE4APDE4CLMNA
SCHEMBL3603468 0.81 MAPT (0.77) LMNAMAPT
SCHEMBL3603472 0.81 MAPT (0.77) LMNAMAPT
SCHEMBL132715 0.81 PDE4B (0.74) PDE4BPDE4DPDE4APDE4CABCB11
SCHEMBL1030007 0.80 PDE4B (0.72) PDE4BPDE4DPDE4APDE4CABCB11
SCHEMBL29723288 0.80 PDE4B (0.72) PDE4BPDE4DPDE4APDE4CABCB11
SCHEMBL6461060 0.79 PDE4B (0.74) PDE4BPDE4DPDE4APDE4CABCB11
SCHEMBL29723540 0.79 PDE4B (0.74) PDE4BPDE4DPDE4APDE4CABCB11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8143262-B2 7-(3′,4′-Dialkoxyphenyl)[1,2,4]-triazolo[1,5-A]pyrimidine compounds, process for preparing thereof, and pharmaceutical composition for treating or preventing asthma, chronic obstructive pulmonary disease, arthritis, atopic dermatitis, tumor and degenerative brain diseases comprising the same KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2012-03-27 US disclosed
US-20100105704-A1 7-(3',4'-Dialkoxyphenyl)-[1,2,4]-Triazolo[1,5-A]Pyrimidine Compounds, Process for Preparing Thereof, and Pharmaceutical Composition for Treating or Preventing Asthma, Chronic Obstructive Pulmonary Disease, Arthritis, Atopic Dermatitis, Tumor and Degenerative Brain Diseases Comprising the Same KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2010-04-29 US disclosed
WO-2008117943-A1 7-(3',4'-DIALKOXYPHENYL)-[1,2,4]-TRIAZOLO[1,5-A]PYRIMIDINE COMPOUNDS, PROCESS FOR PREPARING THEREOF, AND PHARMACEUTICAL COMPOSITION FOR TREATING OR PREVENTING ASTHMA, CHRONIC OBSTRUCTIVE PULMONARY DISEASE, ARTHRITIS, ATOPIC DERMATITIS, TUMOR AND DEGENERATIVE BRAIN DISEASES COMPRISING THE SAME KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2008-10-02 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-20100105704-A1 7-(3',4'-Dialkoxyphenyl)-[1,2,4]-Triazolo[1,5-A]Pyrimidine Compounds, Process for Preparing Thereof, and Pharmaceutical Composition for Treating or Preventing Asthma, Chronic Obstructive Pulmonary Disease, Arthritis, Atopic Dermatitis, Tumor and Degenerative Brain Diseases Comprising the Same TSLP, IL5, ADORA1 PDE4B 550/4885PDE4D 585/4885PDE4A 490/4885

“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.