SCHEMBL16631896

SCHEMBL16631896

CCn1cc(-c2cn(C)c(=O)[nH]c2=O)nn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNK O75909 1/20 0.42
CDK12 Q9NYV4 1/20 0.42
RET P07949 2/20 0.36
KDM4E B2RXH2 1/20 0.36
KDM5C P41229 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
KDM2A Q9Y2K7 1/20 0.36
KDM3A Q9Y4C1 1/20 0.36
EP300 Q09472 2/20 0.32
PDE4A P27815 3/20 0.32
ADORA2A P29274 3/20 0.32
PDE4B Q07343 3/20 0.32
PDE4C Q08493 3/20 0.32
PDE4D Q08499 3/20 0.32
CRBN Q96SW2 1/20 0.32
TNKS O95271 1/20 0.31
HDAC3 O15379 2/20 0.30
HDAC4 P56524 2/20 0.30
HDAC1 Q13547 2/20 0.30
HDAC7 Q8WUI4 2/20 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
SCHEMBL26958706 0.83 TNKS (0.38) EP300TNKSHDAC3HDAC4HDAC1
SCHEMBL18080357 0.83 MET (0.41) CCNKCDK12RETKDM4EKDM5C
SCHEMBL16631899 0.81 BRD4 (0.35) KDM4EKDM5CKDM4CKDM2AKDM3A
SCHEMBL16631902 0.81 CYP19A1 (0.52) CCNKCDK12KDM5CKDM4CKDM2A
SCHEMBL26958707 0.77 HSP90AA1 (0.38) CCNKCDK12EP300MEN1KMT2A
SCHEMBL16631900 0.77 LRRK2 (0.37) CRBNMET
SCHEMBL18081774 0.74 AMY1A (0.33) EP300PDE4AADORA2APDE4BPDE4C
SCHEMBL16631901 0.73 PIK3CA (0.43) CRBNMET
SCHEMBL16631904 0.72 RET (0.43) CCNKCDK12RETKDM4EKDM5C
SCHEMBL16631897 0.71 DAO (0.32) CRBNMETDAO

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 CCNK 2597/4885CDK12 2045/4885RET 3030/4885

“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.