SCHEMBL5266902

SCHEMBL5266902

COc1ccc(-c2cncc3ccc(C(=O)NCCCN4CCOCC4)nc23)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.62
TDP1 Q9NUW8 1/20 0.62
ALDH1A1 P00352 6/20 0.54
KDM4E B2RXH2 3/20 0.54
GLA P06280 2/20 0.54
SLC6A2 P23975 1/20 0.54
SLC6A4 P31645 1/20 0.54
PTGS2 P35354 1/20 0.52
HSD17B10 Q99714 3/20 0.51
CYP1A2 P05177 2/20 0.51
CYP3A4 P08684 2/20 0.51
HPGD P15428 2/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
KDM4A O75164 1/20 0.51
SCN9A Q15858 1/20 0.50
CCNC P24863 1/20 0.49
CDK8 P49336 1/20 0.49
HTT P42858 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49

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
SCHEMBL15747622 0.88 HTT (0.59) ALDH1A1KDM4EPTGS2HPGDKMT2A
SCHEMBL29776159 0.83 NPC1 (0.54) ALDH1A1KDM4ESLC6A2SLC6A4HPGD
SCHEMBL26106792 0.83 NPC1 (0.54) ALDH1A1KDM4ESLC6A2SLC6A4HPGD
SCHEMBL4579263 0.81 KDM4E (0.62) GAAALDH1A1KDM4EGLAHSD17B10
SCHEMBL15747658 0.81 HPGD (0.49) ALDH1A1KDM4EHSD17B10CYP1A2HPGD
SCHEMBL15742928 0.80 CCNC (0.45) GAATDP1KDM4ESLC6A2SLC6A4
SCHEMBL4580434 0.79 CCNC (0.71) GAAALDH1A1KDM4EPTGS2HSD17B10
SCHEMBL15743101 0.79 MEN1 (0.53) ALDH1A1CYP1A2CYP3A4MEN1KMT2A
SCHEMBL15743117 0.78 CCNC (0.45) HPGDMEN1KMT2ASCN9ACCNC
SCHEMBL4580883 0.77 MEN1 (0.52) GAAALDH1A1KDM4EGLAHSD17B10

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-9657014-B2 Substituted 1,6-naphthyridines HOFFMANN-LA ROCHE INC. (US) 2017-05-23 US disclosed
US-20150252044-A1 SUBSTITUTED 1,6-NAPHTHYRIDINES HOFFMANN-LA ROCHE INC. (US) 2015-09-10 US disclosed
WO-2014079787-A1 SUBSTITUTED 1,6-NAPHTHYRIDINES F. HOFFMANN-LA ROCHE AG (CH) 2014-05-30 WO disclosed
EP-1773834-A2 2, 8-DISUBSTITUTED NAPHTHYRIDINE DERIVATIVES Serenex, Inc. (US) 2007-04-18 EP disclosed
WO-2006017672-A2 2, 8-DISUBSTITUTED NAPHTHYRIDINE DERIVATIVES SERENEX INC. (US) 2006-02-16 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-20150252044-A1 SUBSTITUTED 1,6-NAPHTHYRIDINES CBR3, CBR1, NR2C2 GAA 4713/4885TDP1 2626/4885ALDH1A1 1072/4885

“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.