SCHEMBL4581749

SCHEMBL4581749

O=C(NC1CCCCC1=O)c1ccc2cncc(-c3ccsc3)c2n1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CCNC P24863 13/20 0.39
CDK8 P49336 13/20 0.39
PRKCZ Q05513 1/20 0.34
PIM1 P11309 1/20 0.32
CLK2 P49760 1/20 0.32
DYRK1A Q13627 1/20 0.32
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31
WNT1 P04628 1/20 0.31
KDR P35968 1/20 0.31

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
SCHEMBL4580528 0.86 CCNC (0.44) CCNCCDK8PIM1
SCHEMBL4581027 0.84 CCNC (0.44) CCNCCDK8PRKCZPIM1KDR
SCHEMBL4581989 0.79 POLB (0.36) CCNCCDK8PIM1
SCHEMBL4580301 0.75 CCNC (0.56) CCNCCDK8PRKCZPIM1
SCHEMBL4578993 0.74 CCNC (0.54) CCNCCDK8PRKCZ
SCHEMBL5147070 0.74 HTT (0.53)
SCHEMBL4581018 0.71 CYP1A2 (0.48) CCNCCDK8
SCHEMBL5267766 0.71 CCNC (0.61) CCNCCDK8PIM1
SCHEMBL4580344 0.71 CCNC (0.50) CCNCCDK8PRKCZKDR
SCHEMBL15741796 0.71 HPGD (0.44) CCNCCDK8DYRK1A

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 516/4885PRKCZ 3718/4885
US-20080032991-A1 2, 8-disubstituted Naphthyridine Derivatives CCNA1, FOXM1, CCNA2 CCNC 289/4885CDK8 516/4885PRKCZ 3718/4885

“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.