SCHEMBL4520690

SCHEMBL4520690

Cn1cnc2c(=O)n(-c3ccccc3)c(CCCC(F)(F)F)nc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 3/20 0.41
PDE4B Q07343 3/20 0.41
PDE4C Q08493 3/20 0.41
PDE4D Q08499 3/20 0.41
LMNA P02545 1/20 0.40
MAPK1 P28482 1/20 0.40
ALDH1A1 P00352 5/20 0.39
ALDH1A3 P47895 2/20 0.39
PI4KA P42356 1/20 0.37
PI4K2B Q8TCG2 1/20 0.37
PI4K2A Q9BTU6 1/20 0.37
PI4KB Q9UBF8 1/20 0.37
CDK1 P06493 1/20 0.36
HKDC1 Q2TB90 1/20 0.36
ALDH1A2 O94788 1/20 0.36
KDM4E B2RXH2 2/20 0.35
MAPT P10636 2/20 0.35
HPGD P15428 2/20 0.35
DRD1 P21728 1/20 0.35
DRD5 P21918 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
SCHEMBL4515222 0.90 HKDC1 (0.41) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL4517383 0.89 CNR1 (0.37) LMNAMAPK1HKDC1DRD1DRD5
SCHEMBL4518633 0.86 CNR1 (0.36) LMNAMAPK1HKDC1DRD1DRD5
SCHEMBL4525318 0.82 CNR1 (0.38) LMNACDK1HKDC1DRD1DRD5
SCHEMBL4506412 0.78 ADORA1 (0.42) LMNAMAPK1ALDH1A1ALDH1A3CDK1
SCHEMBL4522615 0.78 HKDC1 (0.41) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL4522206 0.78 SMN1; SMN2 (0.43) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL4520786 0.78 CNR1 (0.39) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL4524975 0.77 HIF1A (0.42) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL4512988 0.77 KCNH2 (0.43) KDM4EMAPTDRD1DRD5PDE10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090298856-A1 2,3 Substituted fused bicyclic pyrimidin-4(3H)-ones modulating the function of the vanilliod-1receptor (VR1) BROWN REBECCA ELIZABETH 2009-12-03 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-20090298856-A1 2,3 Substituted fused bicyclic pyrimidin-4(3H)-ones modulating the function of the vanilliod-1receptor (VR1) TRPV1, TRPV2, TRPV4 PDE4A 846/4885PDE4B 954/4885PDE4C 1249/4885

“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.