SCHEMBL10322362

SCHEMBL10322362

COc1ccc(C=O)c(N)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 6/20 0.41
NNMT P40261 2/20 0.40
ALDH1A1 P00352 2/20 0.39
TRIM24 O15164 1/20 0.38
TYR P14679 1/20 0.38
TRIM33 Q9UPN9 1/20 0.38
TDP1 Q9NUW8 2/20 0.37
POLB P06746 1/20 0.37
MAP4K4 O95819 1/20 0.36
SIRT2 Q8IXJ6 1/20 0.36
SIRT1 Q96EB6 1/20 0.36
CYP1A2 P05177 1/20 0.36
KMT2A Q03164 1/20 0.36
PDE10A Q9Y233 1/20 0.36
KDM4E B2RXH2 1/20 0.35
TSHR P16473 1/20 0.35
PIK3CD O00329 1/20 0.35
PIP5K1C O60331 1/20 0.35
PIK3CA P42336 1/20 0.35
PIK3CB P42338 1/20 0.35

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
SCHEMBL23887458 0.81 MAP4K4 (0.36) NNMTALDH1A1TDP1POLBMAP4K4
SCHEMBL30266908 0.81 MAP4K4 (0.36) NNMTALDH1A1TDP1POLBMAP4K4
SCHEMBL29935910 0.80 NNMT (0.50) ERN1NNMTALDH1A1TRIM24TYR
SCHEMBL14032801 0.80 NNMT (0.50) ERN1NNMTALDH1A1TRIM24TYR
SCHEMBL28153665 0.78 ERN1 (0.46) ERN1NNMTALDH1A1TRIM24TYR
SCHEMBL29952654 0.78 ERN1 (0.52) ERN1NNMTALDH1A1TRIM24TYR
SCHEMBL23046187 0.78 ERN1 (0.42) ERN1NNMTALDH1A1TRIM24TYR
SCHEMBL1534756 0.78 ERN1 (0.52) ERN1NNMTALDH1A1TRIM24TYR
SCHEMBL6792316 0.77 ERN1 (0.42) ERN1NNMTALDH1A1TRIM24TYR
SCHEMBL15228338 0.77 ALDH1A1 (0.45) ERN1NNMTALDH1A1TRIM24TYR

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
WO-2012098066-A1 1,6- AND 1,8-NAPHTHYRIDINES USEFUL AS DYRK1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2012-07-26 WO disclosed
WO-2012098066-A1 1,6- AND 1,8-NAPHTHYRIDINES USEFUL AS DYRK1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2012-07-26 WO disclosed
US-20120184562-A1 1,6- AND 1,8-NAPHTHYRIDINES LUK KIN-CHUN (US) 2012-07-19 US disclosed
US-20120184562-A1 1,6- AND 1,8-NAPHTHYRIDINES LUK KIN-CHUN (US) 2012-07-19 US disclosed
US-20120184562-A1 1,6- AND 1,8-NAPHTHYRIDINES LUK KIN-CHUN (US) 2012-07-19 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 (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-20120184562-A1 1,6- AND 1,8-NAPHTHYRIDINES PSEN1, BRCA1, PSEN2 ERN1 3792/4885NNMT 289/4885ALDH1A1 738/4885

“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.