SCHEMBL4581316

SCHEMBL4581316

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT3 Q9Y243 1/20 0.49
MAPK1 P28482 1/20 0.46
IKBKB O14920 1/20 0.41
HTR2C P28335 1/20 0.40
ACKR3 P25106 11/20 0.40
CCNC P24863 1/20 0.40
CDK8 P49336 1/20 0.40
KDM4E B2RXH2 2/20 0.36
NPC1 O15118 1/20 0.36
ESR1 P03372 1/20 0.36
POLB P06746 1/20 0.36
JMJD7 P0C870 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
STAT3 P40763 1/20 0.36
STAT1 P42224 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
RAD52 P43351 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
SCHEMBL4580591 0.90 ACKR3 (0.43) AKT3MAPK1ACKR3CCNCCDK8
SCHEMBL14266822 0.90 AKT3 (0.48) AKT3MAPK1IKBKBHTR2CACKR3
SCHEMBL4580728 0.88 AKT3 (0.46) AKT3MAPK1IKBKBHTR2CACKR3
SCHEMBL4581883 0.83 AKT3 (0.44) AKT3MAPK1KDM4ENPC1POLB
SCHEMBL14287325 0.82 AKT3 (0.41) AKT3MAPK1IKBKBHTR2CACKR3
SCHEMBL4579213 0.80 CCNC (0.48) CCNCCDK8KDM4ENPC1POLB
SCHEMBL4578262 0.79 LMNA (0.38) AKT3IKBKBACKR3CCNCCDK8
SCHEMBL4581323 0.78 CCNC (0.41) CCNCCDK8KDM4ENPC1HPGD
SCHEMBL4580001 0.76 CCNC (0.51) CCNCCDK8KDM4ENPC1GAA
SCHEMBL4581556 0.76 CCNC (0.53) CCNCCDK8KDM4ENPC1GAA

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 8 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
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-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 (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 2231/4885MAPK1 1193/4885IKBKB 613/4885
US-20080032991-A1 2, 8-disubstituted Naphthyridine Derivatives CCNA1, FOXM1, CCNA2 AKT3 2231/4885MAPK1 1193/4885IKBKB 613/4885

“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.