SCHEMBL22875772

SCHEMBL22875772

CC(C)C(=O)Nc1nc2c(ncn2COCCO)c(=O)[nH]1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.64
KMT2A Q03164 3/20 0.64
TSHR P16473 2/20 0.64
PNP P00491 7/20 0.62
HBB P68871 2/20 0.62
BLM P54132 2/20 0.62
USP2 O75604 1/20 0.62
EDNRA P25101 1/20 0.62
HTR2A P28223 1/20 0.62
RECQL P46063 1/20 0.62
HSD17B10 Q99714 1/20 0.62
MAPK1 P28482 1/20 0.53
HPRT1 P00492 3/20 0.49
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
CYP3A4 P08684 1/20 0.47
NFKB1 P19838 1/20 0.47
VCP P55072 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL8444939 0.88 MEN1 (0.80) MEN1KMT2ATSHRPNPHBB
SCHEMBL1177923 0.88 MEN1 (0.60) MEN1KMT2ATSHRPNPHBB
SCHEMBL12786366 0.85 PNP (0.70) MEN1KMT2ATSHRPNPHBB
SCHEMBL750989 0.84 MEN1 (0.63) MEN1KMT2ATSHRPNPHBB
SCHEMBL25781533 0.84 TK1 (0.58) MEN1KMT2ATSHRKDM4E
SCHEMBL22571148 0.83 MEN1 (0.52) MEN1KMT2ATSHRKDM4E
SCHEMBL16082172 0.83 PNP (0.72) MEN1KMT2ATSHRPNPHBB
SCHEMBL3457921 0.81 MEN1 (0.50) MEN1KMT2ATSHRKDM4E
SCHEMBL14391637 0.81 MEN1 (0.52) MEN1KMT2ATSHRPNPHBB
SCHEMBL20425359 0.80 MEN1 (0.49) MEN1KMT2ATSHRPNPHBB

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-20210007999-A1 NANOPARTICLE COMPOSITIONS JANUARY THERAPEUTICS, INC. 2021-01-14 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-20210007999-A1 NANOPARTICLE COMPOSITIONS PNP, NTPCR, TYMP MEN1 3397/4885KMT2A 4252/4885TSHR 4512/4885

“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.