SCHEMBL16631899

SCHEMBL16631899

Cn1cc(-c2cn(C)c(=O)[nH]c2=O)nn1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.35
CRBN Q96SW2 2/20 0.35
DDB1 Q16531 1/20 0.34
DAO P14920 1/20 0.33
MET P08581 1/20 0.33
KDM4E B2RXH2 1/20 0.33
KDM4A O75164 1/20 0.33
KDM5C P41229 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
KDM2A Q9Y2K7 1/20 0.33
KDM3A Q9Y4C1 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPK1 P28482 1/20 0.33
PMP22 Q01453 1/20 0.33
WNT1 P04628 1/20 0.30
GSK3B P49841 1/20 0.30
DYRK1A Q13627 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
SCHEMBL18080355 0.81 MET (0.43) BRD4CRBNDDB1MET
SCHEMBL16631896 0.81 CCNK (0.42) CRBNDAOMETKDM4EKDM5C
SCHEMBL16631901 0.78 PIK3CA (0.43) CRBNDDB1MET
SCHEMBL26958706 0.77 TNKS (0.38)
SCHEMBL16631897 0.75 DAO (0.32) CRBNDAOMETCYP3A4MAPK1
SCHEMBL16631902 0.75 CYP19A1 (0.52) KDM4AKDM5CKDM4CKDM2AKDM3A
SCHEMBL13395622 0.71 MET (0.61) BRD4DAOMETKDM4E
SCHEMBL26958707 0.71 HSP90AA1 (0.38)
SCHEMBL16631717 0.70 DDB1 (0.38) CRBNDDB1DAOCYP3A4MAPK1
SCHEMBL17084697 0.69 KDM4E (0.46) BRD4CRBNDDB1KDM4EKDM4A

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 BRD4 4438/4885CRBN 2319/4885DDB1 620/4885

“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.