SCHEMBL4580445

SCHEMBL4580445

O=C(c1ccc2cncc(-c3ccsc3)c2n1)N1CCN(Cc2ccccc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKAA2 P54646 4/20 0.52
PRKAB2 O43741 2/20 0.52
PRKAG1 P54619 2/20 0.52
PRKAA1 Q13131 2/20 0.52
PRKAG3 Q9UGI9 2/20 0.52
PRKAG2 Q9UGJ0 2/20 0.52
PRKAB1 Q9Y478 2/20 0.52
GRIN2B Q13224 1/20 0.51
CCNC P24863 4/20 0.46
CDK8 P49336 4/20 0.46
CHRM2 P08172 1/20 0.45
CHRM3 P20309 1/20 0.45
HTT P42858 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPC1 O15118 2/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
TSHR P16473 1/20 0.44
RAB9A P51151 1/20 0.44
HSD17B10 Q99714 1/20 0.44

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
SCHEMBL4580286 0.89 PRKAA2 (0.58) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL4580748 0.84 CCNC (0.45) CCNCCDK8ALDH1A1
SCHEMBL4580918 0.83 PRKAA2 (0.54) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL5267766 0.83 CCNC (0.61) CCNCCDK8NPC1RAB9A
SCHEMBL4578942 0.82 BCHE (0.54) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL5263350 0.81 CCNC (0.64) CCNCCDK8SMN1; SMN2
SCHEMBL4581298 0.80 ALDH1A1 (0.46) CCNCCDK8HTTKDM4EALDH1A1
SCHEMBL4580344 0.80 CCNC (0.50) CCNCCDK8CYP46A1
SCHEMBL4580840 0.78 GRIN2B (0.54) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL4580362 0.77 CCNC (0.49) CCNCCDK8HTTSMN1; SMN2NPC1

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.