SCHEMBL4580286

SCHEMBL4580286

O=C(c1ccc2cncc(-c3ccccc3)c2n1)N1CCN(Cc2ccccc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKAA2 P54646 5/20 0.58
PRKAB2 O43741 3/20 0.58
PRKAG1 P54619 3/20 0.58
PRKAA1 Q13131 3/20 0.58
PRKAG3 Q9UGI9 3/20 0.58
PRKAG2 Q9UGJ0 3/20 0.58
PRKAB1 Q9Y478 3/20 0.58
GRIN2B Q13224 1/20 0.57
CCNC P24863 5/20 0.53
CDK8 P49336 5/20 0.53
NPC1 O15118 2/20 0.49
KDM4E B2RXH2 2/20 0.49
ALDH1A1 P00352 2/20 0.49
TSHR P16473 2/20 0.49
HTT P42858 1/20 0.49
RAB9A P51151 1/20 0.49
HSD17B10 Q99714 1/20 0.49
CYP46A1 Q9Y6A2 1/20 0.48
MEN1 O00255 1/20 0.47
LMNA P02545 1/20 0.47

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
SCHEMBL4578942 0.90 BCHE (0.54) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL4580445 0.89 PRKAA2 (0.52) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL5263312 0.84 CCNC (0.69) CCNCCDK8NPC1TSHRRAB9A
SCHEMBL4580840 0.83 GRIN2B (0.54) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL4581691 0.81 CCNC (0.56) CCNCCDK8TSHRCYP46A1
SCHEMBL4582871 0.81 PRKAA2 (0.60) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL4578631 0.79 ALDH1A1 (0.59) CCNCCDK8KDM4EALDH1A1TSHR
SCHEMBL15743093 0.79 CCNC (0.59) CCNCCDK8NPC1RAB9AKMT2A
SCHEMBL4580320 0.77 NPC1 (0.55) CCNCCDK8NPC1KDM4EALDH1A1
SCHEMBL15747555 0.76 CCNC (0.52) PRKAA2CCNCCDK8NPC1KDM4E

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 6 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
US-20060030584-A1 2,8-Disubstituted naphthyridine derivatives SERENEX, INC. 2006-02-09 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 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.