SCHEMBL4580728

SCHEMBL4580728

CN(C)CCNC(=O)c1ccc(-c2cncc3ccc(C(=O)NC4CC4)nc23)s1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT3 Q9Y243 1/20 0.46
IKBKB O14920 1/20 0.44
MAPK1 P28482 1/20 0.43
KDM4E B2RXH2 2/20 0.38
HPGD P15428 2/20 0.38
NPC1 O15118 1/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 1/20 0.38
HTR2C P28335 1/20 0.38
MAPK14 Q16539 6/20 0.36
MAPK13 O15264 5/20 0.36
MAPK12 P53778 5/20 0.36
MAPK11 Q15759 5/20 0.36
RPS6KB1 P23443 1/20 0.36
CCNC P24863 3/20 0.36
CDK8 P49336 3/20 0.36
DYRK1A Q13627 1/20 0.36

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
SCHEMBL4578262 0.91 LMNA (0.38) AKT3IKBKBKDM4EHPGDNPC1
SCHEMBL14266822 0.88 AKT3 (0.48) AKT3IKBKBMAPK1KDM4EHPGD
SCHEMBL4581316 0.88 AKT3 (0.49) AKT3IKBKBMAPK1KDM4EHPGD
SCHEMBL4579997 0.83 KDM4E (0.41) KDM4EHPGDNPC1TP53MAPT
SCHEMBL14287325 0.81 AKT3 (0.41) AKT3IKBKBMAPK1KDM4EHPGD
SCHEMBL4581883 0.81 AKT3 (0.44) AKT3MAPK1KDM4EHPGDNPC1
SCHEMBL4580591 0.79 ACKR3 (0.43) AKT3MAPK1KDM4EHPGDNPC1
SCHEMBL4581556 0.75 CCNC (0.53) KDM4EHPGDNPC1MAPTRAB9A
SCHEMBL4580810 0.73 ALDH1A1 (0.42) MAPK1KDM4EHPGDNPC1TP53
SCHEMBL4580883 0.71 MEN1 (0.52) KDM4ERAB9ASMN1; SMN2HSD17B10CCNC

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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 AKT3 2231/4885IKBKB 613/4885MAPK1 1193/4885
US-20080032991-A1 2, 8-disubstituted Naphthyridine Derivatives CCNA1, FOXM1, CCNA2 AKT3 2231/4885IKBKB 613/4885MAPK1 1193/4885

“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.