SCHEMBL4559787

SCHEMBL4559787

CCc1nc2c(=O)[nH]cnc2n1-c1ccccc1C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.47
PDE4B Q07343 1/20 0.47
PDE4C Q08493 1/20 0.47
PDE4D Q08499 1/20 0.47
PARP1 P09874 1/20 0.45
HCAR1 Q9BXC0 4/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
ALDH1A1 P00352 1/20 0.43
APLNR P35414 1/20 0.40
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
KMT2A Q03164 1/20 0.39
NR1H2 P55055 1/20 0.36
NR1H3 Q13133 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
MDM2 Q00987 1/20 0.35
POLB P06746 1/20 0.34

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
SCHEMBL4559992 0.86 TNKS2 (0.44) PDE4APDE4BPDE4CPDE4DPARP1
SCHEMBL5470190 0.84 APLNR (0.47) PDE4APDE4BPDE4CPDE4DPARP1
SCHEMBL4559786 0.80 L3MBTL1 (0.46) PDE4APDE4BPDE4CPDE4DPARP1
SCHEMBL4560225 0.77 PDE7A (0.34) PDE4APDE4BPDE4CPDE4DPARP1
SCHEMBL2034427 0.69 ALDH1A1 (0.45) HCAR1L3MBTL1ALDH1A1APLNRKDM4E
SCHEMBL2031644 0.69 ALDH1A1 (0.45) HCAR1L3MBTL1ALDH1A1APLNRKDM4E
SCHEMBL5468157 0.68 HCAR1 (0.42) HCAR1ALDH1A1APLNRKDM4EMAPT
SCHEMBL5470187 0.68 APLNR (0.47) PDE4APDE4BPDE4CPDE4DPARP1
SCHEMBL2024924 0.68 ALDH1A1 (0.47) HCAR1L3MBTL1ALDH1A1APLNRMAPT
SCHEMBL839159 0.68 HTT (0.54) PDE4APDE4BPDE4CPDE4DPARP1

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.