SCHEMBL4187655

SCHEMBL4187655

C1CC2CC2C1.CC(=O)c1c(O)c2cccnc2n(-c2ccccc2)c1=O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
ALDH1A1 P00352 3/20 0.47
FEN1 P39748 1/20 0.46
PDE4A P27815 6/20 0.44
PDE4B Q07343 6/20 0.44
PDE4C Q08493 6/20 0.44
PDE4D Q08499 6/20 0.44
CNR1 P21554 1/20 0.44
CNR2 P34972 1/20 0.44
KDM4E B2RXH2 2/20 0.44
CYP2C19 P33261 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
RECQL P46063 1/20 0.44
HTR3E A5X5Y0 2/20 0.42
HTR3B O95264 2/20 0.42
HTR3A P46098 2/20 0.42
HTR3D Q70Z44 2/20 0.42
HTR3C Q8WXA8 2/20 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
SCHEMBL8802904 0.90 FEN1 (0.54) MEN1KMT2AALDH1A1FEN1PDE4A
SCHEMBL8802662 0.78 FEN1 (0.54) ALDH1A1FEN1PDE4APDE4BPDE4C
SCHEMBL4187649 0.78 CNR2 (0.52) MEN1KMT2AFEN1PDE4APDE4B
SCHEMBL9045112 0.78 FEN1 (0.51) ALDH1A1FEN1PDE4APDE4BPDE4C
SCHEMBL7433210 0.76 HTR3A (0.54) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL7436991 0.76 HTR3A (0.74) CNR1CNR2HTR3EHTR3BHTR3A
SCHEMBL9047180 0.75 FEN1 (0.48) ALDH1A1FEN1PDE4APDE4BPDE4C
SCHEMBL7432150 0.75 RECQL (0.69) MEN1KMT2AALDH1A1FEN1PDE4A
SCHEMBL4192599 0.75 PDE4A (0.49) ALDH1A1FEN1PDE4APDE4BPDE4C
SCHEMBL2409456 0.74 PDE1A (0.51) ALDH1A1FEN1PDE4APDE4BPDE4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1925617-B1 HETEROCYCLIC COMPOUND, AND PRODUCTION PROCESS AND USE THEREOF ASKA PHARM CO LTD (JP) 2012-11-14 EP disclosed
US-8193356-B2 Heterocycle compound, and production process and application thereof ASKA PHARMACEUTICAL CO., LTD. (JP) 2012-06-05 US disclosed
US-20090131467-A1 Heterocycle Compound, and Production Process and Application Thereof ASKA PHARMACEUTICAL CO., LTD. (JP) 2009-05-21 US disclosed
EP-1925617-A1 HETEROCYCLIC COMPOUND, AND PRODUCTION PROCESS AND USE THEREOF ASKA Pharmaceutical Co., Ltd. (JP) 2008-05-28 EP 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-20090131467-A1 Heterocycle Compound, and Production Process and Application Thereof PDE3B, PDE4B, PDE7A MEN1 3004/4885KMT2A 2248/4885ALDH1A1 1422/4885

“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.