SCHEMBL4581691

SCHEMBL4581691

O=C(c1ccc2cncc(-c3ccccc3)c2n1)N1CCC(O)CC1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCNC P24863 9/20 0.56
CDK8 P49336 9/20 0.56
HTR2C P28335 1/20 0.41
GRM5 P41594 1/20 0.41
ATM Q13315 1/20 0.41
CYP46A1 Q9Y6A2 1/20 0.41
HTR2B P41595 1/20 0.40
TSHR P16473 1/20 0.39
SCD5 Q86SK9 2/20 0.39
SCD O00767 1/20 0.39
SCN9A Q15858 1/20 0.39
ACACB O00763 1/20 0.38
ACACA Q13085 1/20 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
SCHEMBL5263312 0.87 CCNC (0.69) CCNCCDK8TSHR
SCHEMBL4580344 0.84 CCNC (0.50) CCNCCDK8HTR2CCYP46A1SCN9A
SCHEMBL15742814 0.82 CCNC (0.53) CCNCCDK8SCN9A
SCHEMBL4581031 0.81 CCNC (0.43) CCNCCDK8
SCHEMBL4580286 0.81 PRKAA2 (0.58) CCNCCDK8CYP46A1TSHR
SCHEMBL4580320 0.80 NPC1 (0.55) CCNCCDK8TSHR
SCHEMBL4578631 0.79 ALDH1A1 (0.59) CCNCCDK8TSHR
SCHEMBL4580346 0.77 CCNC (0.64) CCNCCDK8
SCHEMBL15743093 0.77 CCNC (0.59) CCNCCDK8
SCHEMBL4579857 0.77 CCNC (0.64) CCNCCDK8TSHR

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
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

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.