SCHEMBL5033557

SCHEMBL5033557

O=CC(N1CCCCC1)n1cnc2cncnc21

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.36
MKNK2 Q9HBH9 1/20 0.32
ALDH1A1 P00352 1/20 0.31
HDAC1 Q13547 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30

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
SCHEMBL15416670 0.70 HSD17B10 (0.44) FDPS
SCHEMBL27957475 0.69 CYP1A2 (0.40) FDPSALDH1A1
SCHEMBL30539287 0.68 ADORA2A (0.47) FDPSALDH1A1HDAC1HDAC6
SCHEMBL28186936 0.68 FDPS (0.43) FDPSMKNK2ALDH1A1HDAC1HDAC6
SCHEMBL14993002 0.68 FDPS (0.43) FDPSMKNK2ALDH1A1HDAC1HDAC6
SCHEMBL754943 0.68 ADORA2A (0.47) FDPSALDH1A1HDAC1HDAC6
SCHEMBL27531816 0.68 FDPS (0.39) FDPSMKNK2ALDH1A1HDAC1HDAC6
SCHEMBL1748495 0.67 FDPS (0.37) FDPSMKNK2ALDH1A1HDAC1HDAC6
SCHEMBL2451018 0.66 FDPS (0.44) FDPSMKNK2ALDH1A1HDAC1HDAC6
SCHEMBL11611670 0.65 FDPS (0.38) FDPSMKNK2ALDH1A1HDAC1HDAC6

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-20080233127-A1 IMIDAZOLOPYRIMIDINE ANALOGS AND THEIR USE AS PI3 KINASE AND MTOR INHIBITORS WYETH (US) 2008-09-25 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-20080233127-A1 IMIDAZOLOPYRIMIDINE ANALOGS AND THEIR USE AS PI3 KINASE AND MTOR INHIBITORS MTOR, RICTOR, MTMR1 FDPS 352/4885MKNK2 292/4885ALDH1A1 3278/4885

“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.