SCHEMBL4581564

SCHEMBL4581564

O=C(c1ccc2cncc(-c3cc4ccccc4o3)c2n1)N1CCC2(CC1)OCCO2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.53
KDM4E B2RXH2 4/20 0.53
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.47
NAMPT P43490 1/20 0.44
CCNC P24863 5/20 0.44
CDK8 P49336 5/20 0.44
HSD17B10 Q99714 4/20 0.42
TSHR P16473 3/20 0.42
CASP1 P29466 3/20 0.42
HPGD P15428 3/20 0.42
NPSR1 Q6W5P4 2/20 0.42
MAPT P10636 2/20 0.42
USP2 O75604 1/20 0.42
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42
KMT2A Q03164 3/20 0.42
CYP3A4 P08684 2/20 0.41

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
SCHEMBL4581759 0.88 CCNC (0.56) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL4581108 0.87 CCNC (0.52) ALDH1A1NPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL18024514 0.86 EIF4E (0.49) ALDH1A1NPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL18024246 0.85 CCNC (0.55) ALDH1A1KDM4ENPC1RAB9AL3MBTL1
SCHEMBL4581031 0.85 CCNC (0.43) ALDH1A1NPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL4580320 0.84 NPC1 (0.55) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL4580840 0.81 GRIN2B (0.54) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL18024140 0.78 CCNC (0.45) ALDH1A1KDM4ERAB9ACCNCCDK8
SCHEMBL4580362 0.77 CCNC (0.49) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL18024141 0.74 KDM4E (0.44) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2

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 10 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
US-20080032991-A1 2, 8-disubstituted Naphthyridine Derivatives SERENEX, INC. 2008-02-07 US disclosed
US-20080032991-A1 2, 8-disubstituted Naphthyridine Derivatives SERENEX, INC. 2008-02-07 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
US-7282506-B2 2,8-disubstituted naphthyridine derivatives SERENEX, INC. (US) 2007-10-16 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 ALDH1A1 107/4885KDM4E 3744/4885NPC1 916/4885
US-20080032991-A1 2, 8-disubstituted Naphthyridine Derivatives CCNA1, FOXM1, CCNA2 ALDH1A1 107/4885KDM4E 3744/4885NPC1 916/4885

“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.