SCHEMBL4559991

SCHEMBL4559991

CCc1nc2[nH]cnc2c(=O)n1-c1ccccc1F

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
TSHR P16473 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TNKS2 Q9H2K2 1/20 0.39
HCAR1 Q9BXC0 1/20 0.39
PIK3CG P48736 2/20 0.38
ALDH1A1 P00352 1/20 0.38
PIK3R1 P27986 1/20 0.38
PIK3CA P42336 1/20 0.38
ADORA3 P0DMS8 1/20 0.37
PARP1 P09874 1/20 0.37
KMT2A Q03164 1/20 0.36

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
SCHEMBL4559786 0.86 L3MBTL1 (0.46) PDE4APDE4BPDE4CPDE4DL3MBTL1
SCHEMBL4560224 0.85 PDE7A (0.35) PDE4APDE4BPDE4CPDE4DL3MBTL1
SCHEMBL5437225 0.78 SMN1; SMN2 (0.48) SMN1; SMN2L3MBTL1HCAR1ALDH1A1KMT2A
SCHEMBL4559992 0.78 TNKS2 (0.44) PDE4APDE4BPDE4CPDE4DTSHR
SCHEMBL4559996 0.74 SRC (0.43) PDE4APDE4BPDE4CPDE4DSMN1; SMN2
SCHEMBL637358 0.72 HCAR1 (0.48) PDE4APDE4BPDE4CPDE4DSMN1; SMN2
SCHEMBL5470187 0.69 APLNR (0.47) PDE4APDE4BPDE4CPDE4DL3MBTL1
SCHEMBL10296669 0.69 PIK3CD (0.47) PIK3CGPIK3R1
SCHEMBL733234 0.69 PIK3CG (0.65) PIK3CGALDH1A1PIK3R1PIK3CA
SCHEMBL21768327 0.68 HCAR1 (0.49) HCAR1PIK3CGALDH1A1PARP1

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.