SCHEMBL4580591

SCHEMBL4580591

CCN(CC)CCNC(=O)c1ccc(-c2cncc3ccc(C(=O)O)nc23)s1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 9/20 0.43
LMNA P02545 3/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NPC1 O15118 2/20 0.40
MAPT P10636 2/20 0.40
TP53 P04637 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
AKT3 Q9Y243 1/20 0.39
CCNC P24863 1/20 0.39
CDK8 P49336 1/20 0.39
HPGD P15428 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ESR1 P03372 1/20 0.37
POLB P06746 1/20 0.37
JMJD7 P0C870 1/20 0.37
GAA P10253 1/20 0.37
STAT3 P40763 1/20 0.37
STAT1 P42224 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL4581316 0.90 AKT3 (0.49) ACKR3LMNANPC1MAPTAKT3
SCHEMBL4578262 0.88 LMNA (0.38) ACKR3LMNAL3MBTL1NPC1MAPT
SCHEMBL4580810 0.84 ALDH1A1 (0.42) ACKR3LMNANPC1MAPTTP53
SCHEMBL14266822 0.83 AKT3 (0.48) ACKR3NPC1MAPTAKT3CCNC
SCHEMBL4579213 0.79 CCNC (0.48) NPC1CCNCCDK8HPGDKDM4E
SCHEMBL4580728 0.79 AKT3 (0.46) ACKR3NPC1MAPTTP53AKT3
SCHEMBL4580596 0.78 CCNC (0.41) NPC1CCNCCDK8HPGDKDM4E
SCHEMBL4581323 0.78 CCNC (0.41) NPC1CCNCCDK8HPGDKDM4E
SCHEMBL4580001 0.75 CCNC (0.51) NPC1CCNCCDK8HPGDKDM4E
SCHEMBL4581883 0.75 AKT3 (0.44) LMNANPC1MAPTTP53AKT3

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 ACKR3 366/4885LMNA 1779/4885L3MBTL1 3202/4885
US-20080032991-A1 2, 8-disubstituted Naphthyridine Derivatives CCNA1, FOXM1, CCNA2 ACKR3 366/4885LMNA 1779/4885L3MBTL1 3202/4885

“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.