SCHEMBL16631522

SCHEMBL16631522

Cc1cc2cnc(=O)[nH]c2[nH]c1=O

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 9/20 0.43
ATAD2 Q6PL18 8/20 0.39
ALDH1A1 P00352 2/20 0.36
TP53 P04637 1/20 0.35
GRIN2D O15399 1/20 0.34
GRIN3B O60391 1/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2A Q12879 1/20 0.34
GRIN2B Q13224 1/20 0.34
GRIN2C Q14957 1/20 0.34
GRIN3A Q8TCU5 1/20 0.34
KDM4E B2RXH2 1/20 0.33
CYP1A2 P05177 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL18081778 0.84 BRD4 (0.33) BRD4TP53
SCHEMBL18080522 0.79 BTK (0.39)
SCHEMBL16631524 0.71 BRD4 (0.48) BRD4ATAD2GRIN2DGRIN3BGRIN1
SCHEMBL16631393 0.70 MAPT (0.45) ALDH1A1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL18080518 0.69 BTK (0.33)
SCHEMBL30761015 0.69 BRD4 (0.47) BRD4ATAD2ALDH1A1GRIN2DGRIN3B
SCHEMBL15335986 0.68 KDM4E (0.51) ALDH1A1TP53KDM4ECYP1A2GAA
SCHEMBL8344499 0.68 BRD4 (0.42) BRD4ATAD2
SCHEMBL5262113 0.67 MEN1 (0.39) BRD4ATAD2KDM4EMAPTHSD17B10
SCHEMBL19363733 0.67

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 4438/4885ATAD2 3844/4885ALDH1A1 4189/4885

“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.