SCHEMBL4578631

SCHEMBL4578631

O=C(c1ccc2cncc(-c3ccccc3)c2n1)N1CCN(c2ccccn2)CC1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.59
TSHR P16473 3/20 0.59
LMNA P02545 2/20 0.59
MAPK1 P28482 3/20 0.56
SLC6A7 Q99884 2/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
CCNC P24863 4/20 0.52
CDK8 P49336 4/20 0.52
KMT2A Q03164 3/20 0.51
POLB P06746 2/20 0.51
MEN1 O00255 2/20 0.51
KDM4E B2RXH2 3/20 0.50
RCE1 Q9Y256 1/20 0.50
CYP3A4 P08684 1/20 0.47
HPGD P15428 1/20 0.47
HSD17B10 Q99714 1/20 0.47

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
SCHEMBL4581407 0.90 HSD17B10 (0.54) ALDH1A1TSHRLMNAMAPK1L3MBTL1
SCHEMBL4581298 0.88 ALDH1A1 (0.46) ALDH1A1TSHRLMNAMAPK1SLC6A7
SCHEMBL5263312 0.82 CCNC (0.69) TSHRMAPK1CCNCCDK8KMT2A
SCHEMBL4581691 0.79 CCNC (0.56) TSHRCCNCCDK8
SCHEMBL4580286 0.79 PRKAA2 (0.58) ALDH1A1TSHRLMNAMAPK1L3MBTL1
SCHEMBL4580320 0.76 NPC1 (0.55) ALDH1A1TSHRLMNAL3MBTL1CCNC
SCHEMBL15743093 0.75 CCNC (0.59) CCNCCDK8KMT2A
SCHEMBL4580346 0.73 CCNC (0.64) ALDH1A1MAPK1CCNCCDK8
SCHEMBL4579857 0.73 CCNC (0.64) TSHRLMNACCNCCDK8KMT2A
SCHEMBL8154101 0.72 SLC6A7 (1.00) ALDH1A1TSHRLMNAMAPK1SLC6A7

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 23 patents — showing the first 20. 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 claimed
EP-2922540-A1 SUBSTITUTED 1,6-NAPHTHYRIDINES F. Hoffmann-La Roche AG (CH) 2015-09-30 EP claimed
US-20150252044-A1 SUBSTITUTED 1,6-NAPHTHYRIDINES HOFFMANN-LA ROCHE INC. (US) 2015-09-10 US claimed
WO-2014079787-A1 SUBSTITUTED 1,6-NAPHTHYRIDINES F. HOFFMANN-LA ROCHE AG (CH) 2014-05-30 WO claimed
US-20080032991-A1 2, 8-disubstituted Naphthyridine Derivatives SERENEX, INC. 2008-02-07 US claimed
US-7282506-B2 2,8-disubstituted naphthyridine derivatives SERENEX, INC. (US) 2007-10-16 US claimed
EP-1773834-A2 2, 8-DISUBSTITUTED NAPHTHYRIDINE DERIVATIVES Serenex, Inc. (US) 2007-04-18 EP claimed
WO-2006017672-A2 2, 8-DISUBSTITUTED NAPHTHYRIDINE DERIVATIVES SERENEX INC. (US) 2006-02-16 WO claimed
US-20060030584-A1 2,8-Disubstituted naphthyridine derivatives SERENEX, INC. 2006-02-09 US claimed
US-9657014-B2 Substituted 1,6-naphthyridines HOFFMANN-LA ROCHE INC. (US) 2017-05-23 US disclosed
US-9657014-B2 Substituted 1,6-naphthyridines HOFFMANN-LA ROCHE INC. (US) 2017-05-23 US disclosed
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
US-20150252044-A1 SUBSTITUTED 1,6-NAPHTHYRIDINES HOFFMANN-LA ROCHE INC. (US) 2015-09-10 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
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 ALDH1A1 107/4885TSHR 1236/4885LMNA 1779/4885
US-20080032991-A1 2, 8-disubstituted Naphthyridine Derivatives CCNA1, FOXM1, CCNA2 ALDH1A1 107/4885TSHR 1236/4885LMNA 1779/4885
US-20150252044-A1 SUBSTITUTED 1,6-NAPHTHYRIDINES CBR3, CBR1, NR2C2 ALDH1A1 1072/4885TSHR 113/4885LMNA 1299/4885

“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.