SCHEMBL16631901

SCHEMBL16631901

Cn1cc(-c2cn(-c3ccccc3)nn2)c(=O)[nH]c1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 1/20 0.43
PTGS2 P35354 2/20 0.42
PTGS1 P23219 1/20 0.42
CA2 P00918 4/20 0.41
CA1 P00915 3/20 0.41
CA5A P35218 2/20 0.41
CA5B Q9Y2D0 2/20 0.41
KDR P35968 2/20 0.41
P2RX7 Q99572 1/20 0.41
CA12 O43570 3/20 0.40
CA9 Q16790 3/20 0.40
KEAP1 Q14145 1/20 0.40
NFE2L2 Q16236 1/20 0.40
TYMS P04818 3/20 0.39
CDC7 O00311 1/20 0.39
DDB1 Q16531 1/20 0.39
CRBN Q96SW2 1/20 0.39
MET P08581 1/20 0.38
OGT O15294 1/20 0.38
FLT3 P36888 1/20 0.38

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
SCHEMBL18080361 0.83 MET (0.49) PIK3CAPTGS2PTGS1CA2CA1
SCHEMBL16631899 0.78 BRD4 (0.35) DDB1CRBNMET
SCHEMBL16631902 0.78 CYP19A1 (0.52) PIK3CAPTGS2KDRCDC7FLT3
SCHEMBL19144384 0.76 CDK5 (0.51) PIK3CAKDRKEAP1NFE2L2CDC7
SCHEMBL16631321 0.76 BCHE (0.50) PTGS2PTGS1CA2CA1CA5A
SCHEMBL16631690 0.75 L3MBTL1 (0.47) CA2CA1CA12CA9DDB1
SCHEMBL18081738 0.75 CA1 (0.43) PIK3CAPTGS2PTGS1CA2CA1
SCHEMBL16631635 0.74 TSHR (0.52) PIK3CA
SCHEMBL16631896 0.73 CCNK (0.42) CRBNMET
SCHEMBL15850325 0.73 MET (0.58) MET

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 PIK3CA 994/4885PTGS2 4481/4885PTGS1 4633/4885

“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.