SCHEMBL4579263

SCHEMBL4579263

COc1ccc(-c2cncc3ccc(C(=O)NCCCn4ccnc4)nc23)cc1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.62
ALDH1A1 P00352 3/20 0.61
MAPT P10636 1/20 0.61
TSHR P16473 1/20 0.61
HPGD P15428 1/20 0.55
LMNA P02545 2/20 0.54
NAMPT P43490 2/20 0.54
GAA P10253 1/20 0.54
KMT2A Q03164 3/20 0.53
MEN1 O00255 1/20 0.53
RAB9A P51151 1/20 0.53
USP2 O75604 1/20 0.53
TP53 P04637 2/20 0.52
MAPK1 P28482 2/20 0.52
MAOB P27338 1/20 0.51
QPCT Q16769 1/20 0.51
GLA P06280 1/20 0.49
HSD17B10 Q99714 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
SCHEMBL15747549 0.90 LMNA (0.65) KDM4EALDH1A1MAPTTSHRHPGD
SCHEMBL15742887 0.89 NPC1 (0.57) KDM4EALDH1A1TSHRLMNANAMPT
SCHEMBL15747681 0.88 CYP1A2 (0.53) KDM4EALDH1A1LMNANAMPTGAA
SCHEMBL15747563 0.88 SMN1; SMN2 (0.59) KDM4EALDH1A1HPGDLMNANAMPT
SCHEMBL15747571 0.85 HSD17B10 (0.64) KDM4EALDH1A1MAPTTSHRHPGD
SCHEMBL15741560 0.84 CCNC (0.49) KDM4EALDH1A1MAPTTSHRHPGD
SCHEMBL29776159 0.84 NPC1 (0.54) KDM4EALDH1A1MAPTHPGDKMT2A
SCHEMBL26106792 0.84 NPC1 (0.54) KDM4EALDH1A1MAPTHPGDKMT2A
SCHEMBL15741553 0.83 NAMPT (0.53) KDM4EALDH1A1LMNANAMPTGAA
SCHEMBL15747658 0.82 HPGD (0.49) KDM4EALDH1A1MAPTHPGDKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2922540-A1 SUBSTITUTED 1,6-NAPHTHYRIDINES F. Hoffmann-La Roche AG (CH) 2015-09-30 EP claimed
WO-2014079787-A1 SUBSTITUTED 1,6-NAPHTHYRIDINES F. HOFFMANN-LA ROCHE AG (CH) 2014-05-30 WO claimed
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
US-20080032991-A1 2, 8-disubstituted Naphthyridine Derivatives SERENEX, INC. 2008-02-07 US disclosed
US-20080032991-A1 2, 8-disubstituted Naphthyridine Derivatives SERENEX, INC. 2008-02-07 US disclosed
US-20080032991-A1 2, 8-disubstituted Naphthyridine Derivatives SERENEX, INC. 2008-02-07 US disclosed
US-7282506-B2 2,8-disubstituted naphthyridine derivatives SERENEX, INC. (US) 2007-10-16 US disclosed
US-7282506-B2 2,8-disubstituted naphthyridine derivatives SERENEX, INC. (US) 2007-10-16 US disclosed
US-7282506-B2 2,8-disubstituted naphthyridine derivatives SERENEX, INC. (US) 2007-10-16 US 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
US-20060030584-A1 2,8-Disubstituted naphthyridine derivatives SERENEX, INC. 2006-02-09 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 (3 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-20060030584-A1 2,8-Disubstituted naphthyridine derivatives CCNA1, FOXM1, CCNA2 KDM4E 3744/4885ALDH1A1 107/4885MAPT 4199/4885
US-20080032991-A1 2, 8-disubstituted Naphthyridine Derivatives CCNA1, FOXM1, CCNA2 KDM4E 3744/4885ALDH1A1 107/4885MAPT 4199/4885
US-20150252044-A1 SUBSTITUTED 1,6-NAPHTHYRIDINES CBR3, CBR1, NR2C2 KDM4E 3008/4885ALDH1A1 1072/4885MAPT 4867/4885

“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.