SCHEMBL16631491

SCHEMBL16631491

Cc1cn(Cc2cn(-c3ccccc3)nn2)c(=O)[nH]c1=O

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.60
MAPK1 P28482 1/20 0.58
CA9 Q16790 4/20 0.53
CA12 O43570 3/20 0.53
CA1 P00915 3/20 0.53
CA2 P00918 3/20 0.53
L3MBTL1 Q9Y468 2/20 0.49
POLB P06746 1/20 0.49
TK1 P04183 2/20 0.48
DRD2 P14416 1/20 0.48
DRD4 P21917 1/20 0.48
DRD3 P35462 1/20 0.48
NOTUM Q6P988 2/20 0.48
MAOA P21397 1/20 0.48
AMY1A P0DUB6 1/20 0.47
CA4 P22748 1/20 0.46

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
SCHEMBL18080417 0.84 CA9 (0.50) CA9CA12CA1CA2L3MBTL1
SCHEMBL18081921 0.82 HPGD (0.69) HPGDMAPK1TK1AMY1A
SCHEMBL18081900 0.80 MAPK1 (0.54) HPGDMAPK1CA9CA12
SCHEMBL16631398 0.77 MAPK1 (0.51) HPGDMAPK1CA9CA12TK1
SCHEMBL16631449 0.76 MAPK1 (0.50) HPGDMAPK1CA9CA12
SCHEMBL3996660 0.76 HPGD (1.00) HPGDMAPK1TK1
SCHEMBL30023533 0.74 MAPK1 (1.00) HPGDMAPK1TK1
SCHEMBL16631690 0.73 L3MBTL1 (0.47) CA9CA12CA1CA2L3MBTL1
SCHEMBL16631426 0.73 CA1 (0.44) CA9CA12CA1CA2L3MBTL1
SCHEMBL16631396 0.72 MAPK1 (0.55) HPGDMAPK1TK1

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 HPGD 3931/4885MAPK1 4185/4885CA9 4648/4885

“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.