SCHEMBL16631770

SCHEMBL16631770

Cc1cn2c(C)c(C)c(=O)[nH]c2nc1=O

nearest known ligand 0.32

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.32
ALDH1A1 P00352 3/20 0.32
HPGD P15428 3/20 0.32
RAB9A P51151 2/20 0.32
GFER P55789 1/20 0.32
NPC1 O15118 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
GLA P06280 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31
POLB P06746 1/20 0.30
ADORA3 P0DMS8 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
SCHEMBL18081793 0.83 KDM4E (0.35) KDM4EALDH1A1HPGDRAB9AGFER
SCHEMBL18081806 0.83 RAB9A (0.33) KDM4EALDH1A1HPGDRAB9AGFER
SCHEMBL18081970 0.83 RAB9A (0.31) KDM4EALDH1A1HPGDRAB9AGFER
SCHEMBL18080562 0.82 CHEK1 (0.30)
SCHEMBL18081797 0.76 RAB9A (0.31) KDM4EALDH1A1HPGDRAB9AGFER
SCHEMBL16631750 0.74 HTT (0.33) KDM4EALDH1A1HPGDHTT
SCHEMBL16631767 0.74 MAPK1 (0.34) KDM4EALDH1A1HPGDRAB9ANPC1
SCHEMBL18080564 0.73 KDM4E (0.31) KDM4EALDH1A1HPGDMAPT
SCHEMBL18081975 0.71 ALDH1A1 (0.45) KDM4EALDH1A1HPGDRAB9AGFER
SCHEMBL16631921 0.69 KDM4E (0.36) KDM4EALDH1A1HPGDRAB9AGFER

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160264614-A1 POLYNUCLEOTIDE MOLECULES AND USES THEREOF MODERNA THERAPEUTICS, INC. (US) 2016-09-15 US disclosed
WO-2015051173-A2 POLYNUCLEOTIDE MOLECULES AND USES THEREOF MODERNA THERAPEUTICS, INC (US) 2015-04-09 WO 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-20160264614-A1 POLYNUCLEOTIDE MOLECULES AND USES THEREOF POLRMT, POLN, NSUN3 KDM4E 4689/4885ALDH1A1 4189/4885HPGD 3931/4885

“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.