SCHEMBL4558644

SCHEMBL4558644

O=CCn1cnc2cncnc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.54
HDAC1 Q13547 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
LTA4H P09960 1/20 0.43
CYP1A2 P05177 10/20 0.37
CYP2C19 P33261 10/20 0.37
ALDH1A1 P00352 9/20 0.37
CYP2C9 P11712 9/20 0.37
CYP3A4 P08684 8/20 0.37
LMNA P02545 6/20 0.37
TSHR P16473 6/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
HBB P68871 1/20 0.37
USP2 O75604 5/20 0.35
DNMT3B Q9UBC3 1/20 0.34
CYP2D6 P10635 4/20 0.34
CLK4 Q9HAZ1 3/20 0.34
MKNK2 Q9HBH9 1/20 0.34
MAPK1 P28482 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
SCHEMBL10852266 0.83 FDPS (0.51) FDPSHDAC1HDAC6LTA4HCYP1A2
SCHEMBL1079073 0.83 FDPS (0.50) FDPSHDAC1HDAC6LTA4HCYP1A2
SCHEMBL4592188 0.80 FDPS (0.51) FDPSHDAC1HDAC6LTA4HCYP1A2
SCHEMBL28615898 0.79 AHCY (0.55) FDPSHDAC1HDAC6LTA4HCYP1A2
SCHEMBL6005045 0.79 FDPS (0.50) FDPSHDAC1HDAC6LTA4HCYP1A2
SCHEMBL9516044 0.77 FDPS (0.59) FDPSHDAC1HDAC6LTA4HCYP1A2
SCHEMBL9597540 0.77 FDPS (0.55) FDPSHDAC1HDAC6LTA4HCYP1A2
SCHEMBL6125409 0.77 FDPS (0.54) FDPSHDAC1HDAC6LTA4HCYP1A2
SCHEMBL5062453 0.77 FDPS (0.54) FDPSHDAC1HDAC6LTA4HCYP1A2
SCHEMBL28817988 0.77 FDPS (0.54) FDPSHDAC1HDAC6LTA4HCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090233948-A1 Inhibitors of nucleoside phosphorylases and nucleosidases NATIONAL INSTITUTES OF HEALTH 2009-09-17 US claimed
EP-1881984-A1 INHIBITORS OF NUCLEOSIDE PHOSPHORYLASES AND NUCLEOSIDASES ALBERT EINSTEIN COLLEGE OF MEDICINE OF YESHIVA UNIVERSITY, a division of YESHIVA UNIVERSITY (US) 2008-01-30 EP claimed
WO-2006123953-A1 INHIBITORS OF NUCLEOSIDE PHOSPHORYLASES AND NUCLEOSIDASES ALBERT EINSTEIN COLLEGE OF MEDICINE OF YESHIVA UNIVERSITY (US) 2006-11-23 WO claimed

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-20090233948-A1 Inhibitors of nucleoside phosphorylases and nucleosidases PNP, MTAP, TYMP FDPS 371/4885HDAC1 1295/4885HDAC6 1976/4885

“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.