SCHEMBL7704346

SCHEMBL7704346

O=Cc1c(Cl)cncc1OC1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 10/20 0.41
PDE4B Q07343 10/20 0.41
PDE4A P27815 9/20 0.41
PDE4C Q08493 9/20 0.41
POLB P06746 1/20 0.37
HPGD P15428 1/20 0.36
CSNK2A1 P68400 2/20 0.36
P2RX7 Q99572 2/20 0.36
SCN9A Q15858 1/20 0.36
KMO O15229 1/20 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
SCHEMBL7060307 0.98 PDE4B (0.42) PDE4DPDE4BPDE4APDE4CPOLB
SCHEMBL7711770 0.74 PDE4D (0.47) PDE4DPDE4BPDE4APDE4CP2RX7
SCHEMBL29953447 0.73 POLB (0.34) POLB
SCHEMBL4981553 0.72 ERN1 (0.40) PDE4D
SCHEMBL16068427 0.71 CNR2 (0.33) PDE4DPDE4BPDE4APDE4CP2RX7
SCHEMBL15305386 0.71 PDE4B (0.42) PDE4DPDE4BPDE4APDE4CCSNK2A1
SCHEMBL320672 0.70 ALDH1A1 (0.52)
SCHEMBL29957556 0.70 POLB (0.35) POLBCSNK2A1
SCHEMBL29955833 0.70 POLB (0.35) POLB
SCHEMBL29958343 0.70 ERN1 (0.35) POLBKMO

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-20130267513-A1 PYRAZOLOPYRIDINES AS INHIBITORS OF THE KINASE LRRK2 MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2013-10-10 US disclosed
US-20130267513-A1 PYRAZOLOPYRIDINES AS INHIBITORS OF THE KINASE LRRK2 MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2013-10-10 US disclosed
WO-2011141756-A1 PYRAZOLOPYRIDINES AS INHIBITORS OF THE KINASE LRRK2 MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2011-11-17 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-20130267513-A1 PYRAZOLOPYRIDINES AS INHIBITORS OF THE KINASE LRRK2 LRRK2, PARK7, GRK3 PDE4D 2010/4885PDE4B 1764/4885PDE4A 2028/4885

“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.