SCHEMBL4580918

SCHEMBL4580918

O=C(NC1CCN(Cc2ccccc2)CC1)c1ccc2cncc(-c3ccsc3)c2n1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PRKAA2 P54646 9/20 0.54
PRKAB2 O43741 3/20 0.54
PRKAG1 P54619 3/20 0.54
PRKAA1 Q13131 3/20 0.54
PRKAG3 Q9UGI9 3/20 0.54
PRKAG2 Q9UGJ0 3/20 0.54
PRKAB1 Q9Y478 3/20 0.54
DRD4 P21917 7/20 0.54
DRD2 P14416 5/20 0.54
SIGMAR1 Q99720 2/20 0.52
SLC6A12 P48065 2/20 0.48
SLC6A13 Q9NSD5 1/20 0.48

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
SCHEMBL4582871 0.90 PRKAA2 (0.60) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL4581027 0.85 CCNC (0.44)
SCHEMBL4581650 0.84 DRD4 (0.56) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL4580445 0.83 PRKAA2 (0.52) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL4581243 0.80 PRKAA2 (0.52) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL15741796 0.79 HPGD (0.44)
SCHEMBL8705872 0.73 DRD2 (0.73) DRD4DRD2SIGMAR1
SCHEMBL4581749 0.73 CCNC (0.39)
SCHEMBL4578993 0.72 CCNC (0.54)
SCHEMBL4580286 0.72 PRKAA2 (0.58) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3

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 PRKAA2 4491/4885PRKAB2 4072/4885PRKAG1 4025/4885
US-20080032991-A1 2, 8-disubstituted Naphthyridine Derivatives CCNA1, FOXM1, CCNA2 PRKAA2 4491/4885PRKAB2 4072/4885PRKAG1 4025/4885

“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.