SCHEMBL5429613

SCHEMBL5429613

Cn1c(-c2ccccc2F)nc2c(=O)[nH]cnc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 3/20 0.41
ADORA1 P30542 3/20 0.41
PARP1 P09874 2/20 0.41
ADORA2B P29275 2/20 0.41
MAPT P10636 3/20 0.40
HTT P42858 2/20 0.40
LMNA P02545 2/20 0.40
SRC P12931 1/20 0.39
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CCNE2 O96020 1/20 0.38
CCNE1 P24864 1/20 0.38
CDK2 P24941 1/20 0.38
ADORA3 P0DMS8 2/20 0.37
PI4KA P42356 1/20 0.37
PI4K2B Q8TCG2 1/20 0.37
PI4K2A Q9BTU6 1/20 0.37

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
SCHEMBL23867066 0.75 ALDH1A1 (0.44) ADORA2AADORA1PARP1ADORA2BMAPT
SCHEMBL14441125 0.74 ALDH1A1 (0.45) ADORA2AADORA1PARP1ADORA2BALDH1A1
SCHEMBL5429656 0.73 MEN1 (0.51) ADORA2AADORA1PARP1ADORA2BKMT2A
SCHEMBL4559992 0.72 TNKS2 (0.44) PARP1MAPTKMT2AALDH1A1SMN1; SMN2
SCHEMBL21579656 0.70 ALDH1A1 (0.45) ADORA2AADORA1PARP1ADORA2BMAPT
SCHEMBL13202761 0.69 ADORA2A (0.51) ADORA2AADORA1ADORA2BMAPTLMNA
SCHEMBL21273219 0.69 PARP1 (0.41) ADORA2AADORA1PARP1ADORA2BMAPT
SCHEMBL20912039 0.68 SRC (0.71) PARP1MAPTHTTLMNASRC
SCHEMBL13587316 0.68 IP6K1 (0.45) ADORA2AADORA1ADORA2BMAPTHTT
SCHEMBL23989088 0.67 DYRK1A (0.37) ADORA2AADORA1ADORA2BMAPTLMNA

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-20070135454-A1 Bicyclic pyrimidin-4(3h)-ones and analogues and derivatives thereof which modulate the function of the vanilloid-1-receptor(vr1) BAYLISS TRACY 2007-06-14 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-20070135454-A1 Bicyclic pyrimidin-4(3h)-ones and analogues and derivatives thereof which modulate the function of the vanilloid-1-receptor(vr1) TRPV1, TRPV2, TRPV4 ADORA2A 536/4885ADORA1 339/4885PARP1 2472/4885

“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.