SCHEMBL5434852

SCHEMBL5434852

CCn1cnc2c(=O)n(-c3ccc(N(C)C)cc3)cnc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 1/20 0.41
GRM1 Q13255 12/20 0.39
GRM5 P41594 8/20 0.39
ACVR1 Q04771 1/20 0.39
ADORA2A P29274 2/20 0.38
ADORA1 P30542 1/20 0.38
PI4KA P42356 1/20 0.38
PI4K2B Q8TCG2 1/20 0.38
PI4K2A Q9BTU6 1/20 0.38
PI4KB Q9UBF8 1/20 0.38
RAB9A P51151 1/20 0.37
KDM4E B2RXH2 2/20 0.37
PDE4A P27815 1/20 0.36
ADORA2B P29275 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
HPGD P15428 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 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
SCHEMBL5437221 0.85 SMN1; SMN2 (0.46) GRM1GRM5ADORA2AADORA1PI4KA
SCHEMBL5428705 0.84 RAB9A (0.46) GRM1GRM5PI4KAPI4K2BPI4K2A
SCHEMBL9487197 0.83 RAB9A (0.52) GRM1ADORA2AADORA1PI4KAPI4K2B
SCHEMBL5438914 0.74 TSHR (0.49) GRM1GRM5ADORA2AADORA1RAB9A
SCHEMBL24191218 0.67 ADORA2B (0.51) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL5432008 0.67 RAB9A (0.42) GRM1GRM5PI4KAPI4K2BPI4K2A
SCHEMBL5432320 0.66 GRM1 (0.46) CYP11B2GRM1GRM5ADORA2AADORA1
SCHEMBL17367369 0.66 ADORA2A (0.48) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL23641822 0.65 ADORA2A (0.43) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL5429660 0.65 GRM1 (0.52) CYP11B2GRM1GRM5PI4KAPI4K2B

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 CYP11B2 913/4885GRM1 136/4885GRM5 348/4885

“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.