SCHEMBL22644445

SCHEMBL22644445

CCCNc1nc(C)c(N)c(=O)[nH]1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
KDM4E B2RXH2 3/20 0.50
L3MBTL1 Q9Y468 1/20 0.49
XDH P47989 3/20 0.40
LMNA P02545 3/20 0.40
HTT P42858 3/20 0.40
POLB P06746 3/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
GAA P10253 3/20 0.39
MAPT P10636 4/20 0.36
PKM P14618 1/20 0.36
GPR84 Q9NQS5 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
NPSR1 Q6W5P4 2/20 0.36
XBP1 P17861 1/20 0.36
HSD17B10 Q99714 1/20 0.36
RIPK1 Q13546 1/20 0.36
MAPK1 P28482 1/20 0.34
TSHR P16473 1/20 0.34

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
SCHEMBL22193171 0.77 ALDH1A1 (0.57) ALDH1A1L3MBTL1XDHLMNAHTT
SCHEMBL9382139 0.75 HTT (0.51) ALDH1A1KDM4EL3MBTL1LMNAHTT
SCHEMBL23114951 0.73 XDH (0.54) ALDH1A1KDM4EXDHLMNAHTT
SCHEMBL4321719 0.70 KDM4C (0.45) ALDH1A1KDM4EL3MBTL1XDHLMNA
SCHEMBL9655166 0.69 GPR84 (0.58) ALDH1A1KDM4EXDHLMNAHTT
SCHEMBL18950161 0.68 KDM4C (0.46) ALDH1A1KDM4ELMNAHTTPOLB
SCHEMBL11678143 0.68 GAA (0.48) ALDH1A1KDM4EHTTPOLBMEN1
SCHEMBL16509679 0.68 POLB (0.73) ALDH1A1KDM4ELMNAHTTPOLB
SCHEMBL12284639 0.68 ALDH1A1 (0.65) ALDH1A1L3MBTL1XDHKMT2AMAPT
SCHEMBL8709578 0.67 GPR84 (0.49) ALDH1A1KDM4ELMNAMEN1KMT2A

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-20200354423-A1 MODIFIED POLYNUCLEOTIDES FOR THE PRODUCTION OF SECRETED PROTEINS MODERNA THERAPEUTICS, INC. 2020-11-12 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-20200354423-A1 MODIFIED POLYNUCLEOTIDES FOR THE PRODUCTION OF SECRETED PROTEINS MSH2, POLRMT, SARNP ALDH1A1 4456/4885KDM4E 4720/4885L3MBTL1 2678/4885

“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.