SCHEMBL4580596

SCHEMBL4580596

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

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCNC P24863 8/20 0.41
CDK8 P49336 8/20 0.41
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
HPGD P15428 2/20 0.32
HSD17B2 P37059 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
HSD17B1 P14061 1/20 0.31
KDM4A O75164 1/20 0.31
MKNK1 Q9BUB5 1/20 0.30
MKNK2 Q9HBH9 1/20 0.30
CSNK2A1 P68400 1/20 0.30

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
SCHEMBL4581323 0.92 CCNC (0.41) CCNCCDK8ALDH1A1KDM4ENPC1
SCHEMBL4579213 0.82 CCNC (0.48) CCNCCDK8ALDH1A1KDM4ENPC1
SCHEMBL4580591 0.78 ACKR3 (0.43) CCNCCDK8ALDH1A1KDM4ENPC1
SCHEMBL4581316 0.76 AKT3 (0.49) CCNCCDK8ALDH1A1KDM4ENPC1
SCHEMBL4580001 0.73 CCNC (0.51) CCNCCDK8ALDH1A1KDM4ENPC1
Hydrochloric Acid SCHEMBL4581072 0.73 CCNC (0.50) CCNCCDK8ALDH1A1KDM4ENPC1
SCHEMBL4581556 0.71 CCNC (0.53) CCNCCDK8ALDH1A1KDM4ENPC1
SCHEMBL4581068 0.68 CCNC (0.50) CCNCCDK8ALDH1A1KDM4ENPC1
SCHEMBL4580254 0.68 CCNC (0.50) CCNCCDK8ALDH1A1KDM4ENPC1
SCHEMBL4579997 0.68 KDM4E (0.41) CCNCCDK8KDM4ENPC1RAB9A

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 3 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
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 CCNC 289/4885CDK8 516/4885ALDH1A1 107/4885
US-20080032991-A1 2, 8-disubstituted Naphthyridine Derivatives CCNA1, FOXM1, CCNA2 CCNC 289/4885CDK8 516/4885ALDH1A1 107/4885

“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.