SCHEMBL3320683

SCHEMBL3320683

c1cnc2c(c1)nnc1cncn12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.36
GABRA5 P31644 1/20 0.35
LCK P06239 2/20 0.34
USP2 O75604 1/20 0.34
RAB9A P51151 1/20 0.34
JAK1 P23458 1/20 0.32
PIK3C3 Q8NEB9 1/20 0.32
PDE2A O00408 1/20 0.32
PDE6D O43924 1/20 0.32
PDE8A O60658 1/20 0.32
PDE5A O76074 1/20 0.32
PDE9A O76083 1/20 0.32
PDE8B O95263 1/20 0.32
PDE6A P16499 1/20 0.32
PDE6G P18545 1/20 0.32
PDE4A P27815 1/20 0.32
PDE6B P35913 1/20 0.32
PDE6C P51160 1/20 0.32
PDE1A P54750 1/20 0.32
PDE1B Q01064 1/20 0.32

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
SCHEMBL3321435 0.77 FDPS (0.33) ALDH1A1
SCHEMBL15471902 0.76 HRH4 (0.45) HRH4PDE2APDE6DPDE8APDE5A
SCHEMBL1016624 0.74 GABRA5 (0.36) HRH4GABRA5LCKUSP2RAB9A
SCHEMBL3328288 0.73 LCK (0.45) GABRA5LCK
SCHEMBL31060458 0.69 LCK (0.40) HRH4GABRA5LCKHTR3EHTR3B
SCHEMBL4038518 0.69 LCK (0.41) HRH4GABRA5LCKPDE2AHTR3E
SCHEMBL13334970 0.66 NSD3 (0.39) HRH4RAB9APDE3BPDE3AHTR3E
SCHEMBL25400045 0.64 FAAH (0.39) USP2RAB9APDE2APDE6DPDE8A
SCHEMBL29895259 0.63 CYP11B2 (0.41) GABRA5LCKALDH1A1HTTKDM4E
SCHEMBL4931476 0.62 HRH4 (0.45) HRH4HTR3EHTR3BHTR3AHTR3D

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010054253-A1 TRIAZINE DERIVATIVES AS INHIBITORS OF PHOSPHODIESTERASES BIOTIE THERAPIES GMBH (DE) 2010-05-14 WO disclosed
US-20100120762-A1 Triazine derivatives as inhibitors of phosphodiesterases WYETH (US) 2010-05-13 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-20100120762-A1 Triazine derivatives as inhibitors of phosphodiesterases PDE2A, PDE5A, PDE12 HRH4 4297/4885GABRA5 1245/4885LCK 2289/4885

“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.