SCHEMBL5437221

SCHEMBL5437221

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.46
LMNA P02545 3/20 0.46
MEN1 O00255 2/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
KMT2A Q03164 2/20 0.46
XDH P47989 1/20 0.45
GRM1 Q13255 8/20 0.44
TSHR P16473 3/20 0.44
POLB P06746 1/20 0.42
GRM5 P41594 3/20 0.41
HPGD P15428 1/20 0.41
HTT P42858 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41
PI4KA P42356 1/20 0.41
PI4K2B Q8TCG2 1/20 0.41
PI4K2A Q9BTU6 1/20 0.41
PI4KB Q9UBF8 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
SCHEMBL5428705 0.87 RAB9A (0.46) LMNANPC1RAB9AXDHGRM1
SCHEMBL9487197 0.87 RAB9A (0.52) SMN1; SMN2RAB9AXDHGRM1POLB
SCHEMBL5434852 0.85 CYP11B2 (0.41) LMNARAB9AKMT2AGRM1GRM5
SCHEMBL5438914 0.77 TSHR (0.49) SMN1; SMN2LMNANPC1RAB9AXDH
SCHEMBL24191218 0.70 ADORA2B (0.51) SMN1; SMN2RAB9AADORA2AADORA1PI4KA
SCHEMBL5432008 0.69 RAB9A (0.42) LMNARAB9AKMT2AXDHGRM1
SCHEMBL5432320 0.69 GRM1 (0.46) XDHGRM1POLBGRM5ADORA2A
SCHEMBL5437218 0.69 MEN1 (0.46) SMN1; SMN2LMNAMEN1NPC1RAB9A
SCHEMBL5429660 0.68 GRM1 (0.52) LMNARAB9AXDHGRM1GRM5
SCHEMBL23641822 0.68 ADORA2A (0.43) SMN1; SMN2RAB9AADORA2AADORA1PI4KA

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 SMN1; SMN2 3016/4885LMNA 4257/4885MEN1 4674/4885

“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.