SCHEMBL1521245

SCHEMBL1521245

N#Cc1cn(CC(N)=O)c2ccccc12

nearest known ligand 0.76

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 1/20 0.76
POLB P06746 1/20 0.68
MAPT P10636 3/20 0.65
ALDH1A1 P00352 7/20 0.62
KMT2A Q03164 3/20 0.62
PKM P14618 1/20 0.58
SMN1; SMN2 Q16637 4/20 0.57
MEN1 O00255 2/20 0.57
TSHR P16473 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.56
IDO1 P14902 1/20 0.55

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
SCHEMBL14884740 0.86 STAT3 (1.00) STAT3POLBMAPTALDH1A1KMT2A
SCHEMBL13980997 0.85 STAT3 (0.76) STAT3POLBMAPTALDH1A1KMT2A
SCHEMBL10165364 0.82 STAT3 (0.72) STAT3POLBMAPTALDH1A1KMT2A
SCHEMBL10203639 0.82 STAT3 (0.72) STAT3POLBMAPTALDH1A1KMT2A
SCHEMBL26694396 0.81 POLB (0.71) STAT3POLBMAPTALDH1A1KMT2A
SCHEMBL1796529 0.81 STAT3 (0.50) STAT3POLBMAPTALDH1A1KMT2A
SCHEMBL2187853 0.79 STAT3 (0.67) STAT3POLBMAPTALDH1A1KMT2A
SCHEMBL28512724 0.78 IDO1 (0.60) STAT3ALDH1A1KMT2ASMN1; SMN2MEN1
SCHEMBL8531486 0.76 IDO1 (0.58) STAT3MAPTALDH1A1KMT2ASMN1; SMN2
SCHEMBL8531490 0.76 KMT2A (0.68) STAT3MAPTALDH1A1KMT2ASMN1; SMN2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130289083-A1 IDO Inhibitors NEWLINK GENETICS CORPORATION 2013-10-31 US disclosed
US-20130289083-A1 IDO Inhibitors NEWLINK GENETICS CORPORATION 2013-10-31 US disclosed
US-20110053941-A1 IDO Inhibitors NEWLINK GENETICS (US) 2011-03-03 US disclosed
US-20110053941-A1 IDO Inhibitors NEWLINK GENETICS (US) 2011-03-03 US disclosed
US-20110053941-A1 IDO Inhibitors NEWLINK GENETICS (US) 2011-03-03 US 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 (2 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-20110053941-A1 IDO Inhibitors IDO1, IDO2, INMT STAT3 753/4885POLB 2747/4885MAPT 2968/4885
US-20130289083-A1 IDO Inhibitors IDO1, IDO2, INMT STAT3 831/4885POLB 2709/4885MAPT 3083/4885

“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.