SCHEMBL5033561

SCHEMBL5033561

O=C(Cn1cnc2cncnc21)N1CCCCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.48
PTGS2 P35354 2/20 0.47
KMT2A Q03164 1/20 0.46
HDAC1 Q13547 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 1/20 0.44
USP2 O75604 1/20 0.44
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.44
HPGD P15428 1/20 0.44
HSD17B10 Q99714 1/20 0.44
PRMT3 O60678 1/20 0.43
GAA P10253 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
GRIN2B Q13224 5/20 0.41
NPSR1 Q6W5P4 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL1692456 0.78 FDPS (0.56) FDPSPTGS2KMT2AHDAC1HDAC6
SCHEMBL28126755 0.77 FDPS (0.55) FDPSKMT2AHDAC1HDAC6ALDH1A1
SCHEMBL6948592 0.77 FDPS (0.55) FDPSKMT2AHDAC1HDAC6ALDH1A1
SCHEMBL5033550 0.76 FDPS (0.39) FDPSHDAC1HDAC6ALDH1A1KDM4E
SCHEMBL15835890 0.76 GRIN2B (0.46) PRMT3GRIN2B
SCHEMBL11345735 0.72 TLR7 (0.51) FDPSHDAC1HDAC6
SCHEMBL7798867 0.72 FDPS (0.52) FDPSKMT2AHDAC1HDAC6ALDH1A1
SCHEMBL28313408 0.71 FDPS (0.49) FDPSKMT2AHDAC1HDAC6ALDH1A1
SCHEMBL20305125 0.71 FDPS (0.51) FDPSKMT2AHDAC1HDAC6ALDH1A1
SCHEMBL1797755 0.71 FDPS (0.51) FDPSKMT2AHDAC1HDAC6ALDH1A1

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 352/4885PTGS2 1554/4885KMT2A 2923/4885

“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.