SCHEMBL5428705

SCHEMBL5428705

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

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.46
TSHR P16473 2/20 0.45
NPC1 O15118 1/20 0.45
GRM1 Q13255 10/20 0.44
LMNA P02545 1/20 0.44
MAPK1 P28482 1/20 0.44
XDH P47989 1/20 0.44
BRD4 O60885 1/20 0.43
BRD2 P25440 1/20 0.43
BRD3 Q15059 1/20 0.43
BRDT Q58F21 1/20 0.43
GRM5 P41594 1/20 0.43
ALDH1A1 P00352 2/20 0.43
PI4KA P42356 1/20 0.43
PI4K2B Q8TCG2 1/20 0.43
PI4K2A Q9BTU6 1/20 0.43
PI4KB Q9UBF8 1/20 0.43
CNR1 P21554 1/20 0.42
KDM4E B2RXH2 1/20 0.42

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
SCHEMBL5438914 0.89 TSHR (0.49) RAB9ATSHRNPC1GRM1LMNA
SCHEMBL5437221 0.87 SMN1; SMN2 (0.46) RAB9ATSHRNPC1GRM1LMNA
SCHEMBL9487197 0.86 RAB9A (0.52) RAB9AGRM1XDHBRD4ALDH1A1
SCHEMBL5434852 0.84 CYP11B2 (0.41) RAB9AGRM1LMNAGRM5ALDH1A1
SCHEMBL5432008 0.82 RAB9A (0.42) RAB9AGRM1LMNAMAPK1XDH
SCHEMBL5429660 0.81 GRM1 (0.52) RAB9AGRM1LMNAMAPK1XDH
SCHEMBL1993358 0.78 CNR1 (0.43) RAB9ATSHRNPC1GRM1LMNA
SCHEMBL5429563 0.78 RAB9A (0.46) RAB9ATSHRNPC1GRM1XDH
SCHEMBL4516843 0.75 SRC (0.41) TSHRNPC1BRD4BRD2BRD3
SCHEMBL5438383 0.74 RAB9A (0.45) RAB9AGRM1XDHGRM5PI4KA

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 RAB9A 2806/4885TSHR 1697/4885NPC1 1077/4885

“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.