SCHEMBL4581585

SCHEMBL4581585

O=C(NC1CC1)c1ccc2cncc(C#CCO)c2n1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.38
SMYD3 Q9H7B4 3/20 0.37
TTK P33981 3/20 0.36
CCNC P24863 2/20 0.36
CDK8 P49336 2/20 0.36
SCN9A Q15858 1/20 0.35
HSD11B1 P28845 1/20 0.34
CD38 P28907 1/20 0.34
CNR1 P21554 1/20 0.34
PRKAA2 P54646 1/20 0.34
DPP4 P27487 1/20 0.33

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
SCHEMBL4579667 0.81 CCNC (0.45) PIM1CCNCCDK8
SCHEMBL14287007 0.79 SMYD3 (0.40) PIM1SMYD3CCNCCDK8HSD11B1
SCHEMBL4580627 0.76 SMYD3 (0.42) PIM1SMYD3CCNCCDK8SCN9A
SCHEMBL4580790 0.74 ALDH1A1 (0.49) SCN9A
SCHEMBL15743029 0.73 CNR1 (0.54) CCNCCDK8CNR1
SCHEMBL4581027 0.69 CCNC (0.44) PIM1SMYD3CCNCCDK8
SCHEMBL4581731 0.68 SMYD3 (0.40) PIM1SMYD3CCNCCDK8CNR1
SCHEMBL4579997 0.68 KDM4E (0.41) PIM1SMYD3CCNCCDK8
SCHEMBL4579031 0.67 CNR1 (0.45) CNR1
SCHEMBL4582871 0.66 PRKAA2 (0.60) PRKAA2

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 5 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-7282506-B2 2,8-disubstituted naphthyridine derivatives SERENEX, INC. (US) 2007-10-16 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 PIM1 3356/4885SMYD3 3067/4885TTK 4375/4885
US-20080032991-A1 2, 8-disubstituted Naphthyridine Derivatives CCNA1, FOXM1, CCNA2 PIM1 3356/4885SMYD3 3067/4885TTK 4375/4885

“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.