SCHEMBL4559786

SCHEMBL4559786

CCc1nc2[nH]cnc2c(=O)n1-c1ccccc1C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.46
ALDH1A1 P00352 2/20 0.46
PDE4A P27815 1/20 0.45
PDE4B Q07343 1/20 0.45
PDE4C Q08493 1/20 0.45
PDE4D Q08499 1/20 0.45
HCAR1 Q9BXC0 4/20 0.43
PARP1 P09874 1/20 0.42
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
KMT2A Q03164 1/20 0.41
APLNR P35414 1/20 0.40
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
POLB P06746 1/20 0.37
TDP1 Q9NUW8 1/20 0.35
PIK3CD O00329 1/20 0.35
PIK3R1 P27986 1/20 0.35
PIK3CA P42336 1/20 0.35
PIK3CG P48736 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
SCHEMBL4559991 0.86 PDE4A (0.41) L3MBTL1ALDH1A1PDE4APDE4BPDE4C
SCHEMBL5470187 0.84 APLNR (0.47) L3MBTL1ALDH1A1PDE4APDE4BPDE4C
SCHEMBL4559787 0.80 PDE4A (0.47) L3MBTL1ALDH1A1PDE4APDE4BPDE4C
SCHEMBL4560224 0.77 PDE7A (0.35) L3MBTL1ALDH1A1PDE4APDE4BPDE4C
SCHEMBL4559789 0.75 PARP1 (0.42) ALDH1A1PDE4APDE4BPDE4CPDE4D
SCHEMBL5437225 0.74 SMN1; SMN2 (0.48) L3MBTL1ALDH1A1HCAR1MEN1LMNA
SCHEMBL5470198 0.73 PARP1 (0.40) PARP1LMNA
SCHEMBL25644300 0.69 KDM4E (0.49) L3MBTL1ALDH1A1PDE4APDE4BPDE4C
SCHEMBL637358 0.69 HCAR1 (0.48) L3MBTL1ALDH1A1PDE4APDE4BPDE4C
SCHEMBL2031644 0.69 ALDH1A1 (0.45) L3MBTL1ALDH1A1HCAR1MEN1LMNA

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 L3MBTL1 4439/4885ALDH1A1 897/4885PDE4A 846/4885

“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.