SCHEMBL4580434

SCHEMBL4580434

COc1ccc(-c2cncc3ccc(C(=O)N4CCOCC4)nc23)cc1

nearest known ligand 0.71

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCNC P24863 9/20 0.71
CDK8 P49336 9/20 0.71
RAB9A P51151 3/20 0.55
NPC1 O15118 2/20 0.55
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
GAA P10253 2/20 0.46
ALDH1A1 P00352 3/20 0.46
POLB P06746 2/20 0.46
KDM4E B2RXH2 2/20 0.46
FKBP1A P62942 1/20 0.46
HPGD P15428 1/20 0.46
HSD17B10 Q99714 1/20 0.46
PTGS2 P35354 1/20 0.45

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
SCHEMBL4581203 0.89 CCNC (0.69) CCNCCDK8RAB9ANPC1MEN1
SCHEMBL15742914 0.86 CCNC (0.72) CCNCCDK8RAB9ANPC1MEN1
SCHEMBL17437235 0.83 CCNC (1.00) CCNCCDK8
SCHEMBL15747555 0.81 CCNC (0.52) CCNCCDK8RAB9ANPC1GAA
SCHEMBL4578942 0.81 BCHE (0.54) CCNCCDK8MEN1KMT2AGAA
SCHEMBL4581407 0.81 HSD17B10 (0.54) CCNCCDK8RAB9ANPC1MEN1
SCHEMBL15742774 0.81 CCNC (0.65) CCNCCDK8GAAALDH1A1KDM4E
SCHEMBL5263350 0.80 CCNC (0.64) CCNCCDK8
SCHEMBL5266902 0.79 GAA (0.62) CCNCCDK8MEN1KMT2AGAA
SCHEMBL15741581 0.79 CCNC (0.62) CCNCCDK8ALDH1A1HPGD

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 11 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-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-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-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 CCNC 289/4885CDK8 516/4885RAB9A 1040/4885
US-20080032991-A1 2, 8-disubstituted Naphthyridine Derivatives CCNA1, FOXM1, CCNA2 CCNC 289/4885CDK8 516/4885RAB9A 1040/4885
US-20150252044-A1 SUBSTITUTED 1,6-NAPHTHYRIDINES CBR3, CBR1, NR2C2 CCNC 1270/4885CDK8 3289/4885RAB9A 3204/4885

“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.