SCHEMBL4580362

SCHEMBL4580362

O=C(c1ccc2cncc(-c3ccsc3)c2n1)N1CCC2(CC1)OCCO2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNC P24863 7/20 0.49
CDK8 P49336 7/20 0.49
SMN1; SMN2 Q16637 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
ALDH1A1 P00352 8/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KMT2A Q03164 1/20 0.41
SCN9A Q15858 1/20 0.40
TSHR P16473 2/20 0.39
GAA P10253 2/20 0.39
HPGD P15428 2/20 0.39
KDM4E B2RXH2 2/20 0.39
USP2 O75604 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
CASP1 P29466 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CYP3A4 P08684 2/20 0.38

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
SCHEMBL5263350 0.87 CCNC (0.64) CCNCCDK8SMN1; SMN2
SCHEMBL4580320 0.86 NPC1 (0.55) CCNCCDK8SMN1; SMN2NPC1RAB9A
SCHEMBL5267766 0.84 CCNC (0.61) CCNCCDK8NPC1RAB9A
SCHEMBL4580344 0.82 CCNC (0.50) CCNCCDK8SCN9A
SCHEMBL4580445 0.77 PRKAA2 (0.52) CCNCCDK8SMN1; SMN2NPC1RAB9A
SCHEMBL4581564 0.77 ALDH1A1 (0.53) CCNCCDK8SMN1; SMN2NPC1RAB9A
SCHEMBL4581298 0.76 ALDH1A1 (0.46) CCNCCDK8ALDH1A1L3MBTL1KMT2A
SCHEMBL4580301 0.76 CCNC (0.56) CCNCCDK8SCN9A
SCHEMBL4578993 0.75 CCNC (0.54) CCNCCDK8KMT2AKDM4ECYP3A4
SCHEMBL4580748 0.74 CCNC (0.45) CCNCCDK8ALDH1A1LMNA

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 516/4885SMN1; SMN2 2203/4885
US-20080032991-A1 2, 8-disubstituted Naphthyridine Derivatives CCNA1, FOXM1, CCNA2 CCNC 289/4885CDK8 516/4885SMN1; SMN2 2203/4885

“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.