SCHEMBL6690696

SCHEMBL6690696

N#CCCn1cnc2cncnc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.48
LTA4H P09960 1/20 0.47
HDAC1 Q13547 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
CSNK2A1 P68400 3/20 0.42
ALDH1A1 P00352 6/20 0.41
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
CYP1A2 P05177 7/20 0.35
CYP2C9 P11712 4/20 0.35
HSD17B10 Q99714 4/20 0.35
HPGD P15428 2/20 0.35
CASP1 P29466 2/20 0.35
CASP7 P55210 2/20 0.35
HIF1A Q16665 2/20 0.34
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL30586365 0.84 CSNK2A1 (0.40) FDPSLTA4HHDAC1HDAC6CSNK2A1
Water SCHEMBL27592739 0.80 FDPS (0.54) FDPSLTA4HHDAC1HDAC6ALDH1A1
SCHEMBL10163117 0.78 FDPS (0.51) FDPSLTA4HHDAC1HDAC6ALDH1A1
SCHEMBL9597540 0.78 FDPS (0.55) FDPSLTA4HHDAC1HDAC6ALDH1A1
SCHEMBL28231111 0.78 FDPS (0.51) FDPSLTA4HHDAC1HDAC6ALDH1A1
SCHEMBL3671306 0.78 FDPS (0.51) FDPSLTA4HHDAC1HDAC6ALDH1A1
SCHEMBL4020843 0.78 FDPS (0.51) FDPSLTA4HHDAC1HDAC6ALDH1A1
SCHEMBL30166038 0.78 FDPS (0.55) FDPSLTA4HHDAC1HDAC6ALDH1A1
SCHEMBL6259635 0.78 FDPS (0.55) FDPSLTA4HHDAC1HDAC6ALDH1A1
SCHEMBL4020850 0.78 FDPS (0.51) FDPSLTA4HHDAC1HDAC6ALDH1A1

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
CN-116693394-A Dehydrazine method and application 大连理工大学 2023-09-05 CN disclosed
CN-115677807-A 6-position alpha-hydroxyalkylated purine compounds and methods for modification thereof 鲁东大学 2023-02-03 CN disclosed
US-6825348-B2 Antiviral compounds ACADEMIA SINICA (TW) 2004-11-30 US disclosed
US-20040002475-A1 Dna genome ACADEMIA SINICA (TW) 2004-01-01 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-20040002475-A1 Dna genome DNA2, OGG1, UNG FDPS 1820/4885LTA4H 2453/4885HDAC1 2806/4885

“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.