SCHEMBL5429660

SCHEMBL5429660

Cn1cnc2c(=O)n(-c3ccc(Cl)cc3)cnc21

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 12/20 0.52
RAB9A P51151 1/20 0.49
XDH P47989 1/20 0.47
PI4KA P42356 1/20 0.46
PI4K2B Q8TCG2 1/20 0.46
PI4K2A Q9BTU6 1/20 0.46
PI4KB Q9UBF8 1/20 0.46
GRM5 P41594 1/20 0.45
DUSP3 P51452 1/20 0.43
PTPN5 P54829 1/20 0.43
PTPN11 Q06124 1/20 0.43
LMNA P02545 1/20 0.41
MAPK1 P28482 1/20 0.41
CYP11B2 P19099 1/20 0.41

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
SCHEMBL8655784 0.84 HPGD (0.51) GRM1XDHPI4KAPI4K2BPI4K2A
SCHEMBL5432320 0.82 GRM1 (0.46) GRM1XDHPI4KAPI4K2BPI4K2A
SCHEMBL5438914 0.82 TSHR (0.49) GRM1RAB9AXDHGRM5LMNA
SCHEMBL5428705 0.81 RAB9A (0.46) GRM1RAB9AXDHPI4KAPI4K2B
SCHEMBL5429563 0.81 RAB9A (0.46) GRM1RAB9AXDHPI4KAPI4K2B
SCHEMBL5429766 0.79 GRM1 (0.51) GRM1XDHGRM5MAPK1
SCHEMBL5438383 0.77 RAB9A (0.45) GRM1RAB9AXDHPI4KAPI4K2B
SCHEMBL1997653 0.77 CDK1 (0.41) GRM1XDHGRM5
SCHEMBL13320628 0.74 PI4KA (0.51) GRM1XDHPI4KAPI4K2BPI4K2A
SCHEMBL5432008 0.74 RAB9A (0.42) GRM1RAB9AXDHPI4KAPI4K2B

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 GRM1 136/4885RAB9A 2806/4885XDH 1535/4885

“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.