SCHEMBL4580344

SCHEMBL4580344

O=C(c1ccc2cncc(-c3ccsc3)c2n1)N1CCC(O)CC1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CCNC P24863 13/20 0.50
CDK8 P49336 13/20 0.50
HTR2C P28335 1/20 0.41
CYP46A1 Q9Y6A2 1/20 0.38
SCN9A Q15858 2/20 0.36
PRKCZ Q05513 1/20 0.36
KDM5A P29375 1/20 0.35
FLT1 P17948 1/20 0.34
KDR P35968 1/20 0.34

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
SCHEMBL5267766 0.88 CCNC (0.61) CCNCCDK8HTR2C
SCHEMBL5263350 0.86 CCNC (0.64) CCNCCDK8HTR2C
SCHEMBL4581691 0.84 CCNC (0.56) CCNCCDK8HTR2CCYP46A1SCN9A
SCHEMBL4580362 0.82 CCNC (0.49) CCNCCDK8SCN9A
SCHEMBL4580445 0.80 PRKAA2 (0.52) CCNCCDK8CYP46A1
SCHEMBL4581298 0.79 ALDH1A1 (0.46) CCNCCDK8SCN9A
SCHEMBL4580301 0.79 CCNC (0.56) CCNCCDK8SCN9APRKCZ
SCHEMBL4578993 0.78 CCNC (0.54) CCNCCDK8PRKCZ
SCHEMBL4580748 0.77 CCNC (0.45) CCNCCDK8
SCHEMBL4581027 0.77 CCNC (0.44) CCNCCDK8CYP46A1PRKCZKDR

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 7 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
EP-1773834-A2 2, 8-DISUBSTITUTED NAPHTHYRIDINE DERIVATIVES Serenex, Inc. (US) 2007-04-18 EP disclosed
WO-2006017672-A2 2, 8-DISUBSTITUTED NAPHTHYRIDINE DERIVATIVES SERENEX INC. (US) 2006-02-16 WO 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 CCNC 289/4885CDK8 516/4885HTR2C 1539/4885
US-20080032991-A1 2, 8-disubstituted Naphthyridine Derivatives CCNA1, FOXM1, CCNA2 CCNC 289/4885CDK8 516/4885HTR2C 1539/4885

“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.