SCHEMBL21163153

SCHEMBL21163153

C=CCN1CN(C)c2nc(N)[nH]c(=O)c21

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.40
HPRT1 P00492 6/20 0.38
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
NOS1 P29475 2/20 0.32
NOS3 P29474 1/20 0.32
NOS2 P35228 1/20 0.32
ALDH1A1 P00352 1/20 0.32
PNP P00491 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
SCHEMBL1586365 0.78 PNP (0.37) HPRT1NOS1NOS3NOS2PNP
SCHEMBL9278710 0.73 HPRT1 (0.54) NPSR1HPRT1MEN1KMT2ANOS1
SCHEMBL9542610 0.72 NPSR1 (0.43) NPSR1HPRT1MEN1KMT2A
SCHEMBL27856551 0.71 MEN1 (0.56) MEN1KMT2APNP
Hydrochloric Acid SCHEMBL9543633 0.71 NPSR1 (0.42) NPSR1HPRT1MEN1KMT2A
SCHEMBL9544073 0.69 NPSR1 (0.37) NPSR1HPRT1MEN1KMT2AALDH1A1
SCHEMBL8952338 0.68 ALDH1A1 (0.38) MEN1KMT2AALDH1A1
Iodide SCHEMBL30340044 0.66 TYMS (0.39) ALDH1A1PNP
Iodide SCHEMBL10861768 0.66 PNP (0.47) HPRT1MEN1KMT2APNP
Iodide SCHEMBL10856292 0.65 BLM (0.46) HPRT1MEN1KMT2AALDH1A1PNP

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-20190211368-A1 TRINUCLEOTIDE MRNA CAP ANALOGS MODERNATX, INC. 2019-07-11 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-20190211368-A1 TRINUCLEOTIDE MRNA CAP ANALOGS RNGTT, RNMT, CPSF7 NPSR1 3129/4885HPRT1 1225/4885MEN1 4726/4885

“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.