SCHEMBL4559992

SCHEMBL4559992

CCc1nc2c(=O)[nH]cnc2n1-c1ccccc1F

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TNKS2 Q9H2K2 2/20 0.44
PDE4A P27815 1/20 0.44
PDE4B Q07343 1/20 0.44
PDE4C Q08493 1/20 0.44
PDE4D Q08499 1/20 0.44
PARP1 P09874 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
TSHR P16473 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
HCAR1 Q9BXC0 2/20 0.39
KMT2A Q03164 1/20 0.39
MAPT P10636 1/20 0.37
ALDH1A1 P00352 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 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
SCHEMBL4559787 0.86 PDE4A (0.47) PDE4APDE4BPDE4CPDE4DPARP1
SCHEMBL4560225 0.85 PDE7A (0.34) TNKS2PDE4APDE4BPDE4CPDE4D
SCHEMBL4559991 0.78 PDE4A (0.41) TNKS2PDE4APDE4BPDE4CPDE4D
SCHEMBL5429613 0.72 ADORA2A (0.41) PARP1SMN1; SMN2ADORA3KMT2AMAPT
Hydrochloric Acid SCHEMBL21272879 0.69 PI4KA (0.56) PDE4APDE4BPDE4CPDE4DSMN1; SMN2
SCHEMBL5470190 0.69 APLNR (0.47) PDE4APDE4BPDE4CPDE4DPARP1
SCHEMBL290848 0.69 KDM4E (0.45) PDE4APDE4BPDE4CPDE4DSMN1; SMN2
SCHEMBL4722651 0.68 PDE4A (0.42) PDE4APDE4BPDE4CPDE4DPARP1
SCHEMBL5468157 0.67 HCAR1 (0.42) HCAR1KMT2AMAPTALDH1A1NPC1
SCHEMBL1905197 0.67 PI4KA (0.58) SMN1; SMN2TSHRADORA3HCAR1KMT2A

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 TNKS2 2633/4885PDE4A 846/4885PDE4B 954/4885

“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.