SCHEMBL4580840

SCHEMBL4580840

O=C(c1ccc2cncc(-c3cc4ccccc4o3)c2n1)N1CCN(Cc2ccccc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 2/20 0.54
PRKAA2 P54646 2/20 0.50
PRKAB2 O43741 1/20 0.50
PRKAG1 P54619 1/20 0.50
PRKAA1 Q13131 1/20 0.50
PRKAG3 Q9UGI9 1/20 0.50
PRKAG2 Q9UGJ0 1/20 0.50
PRKAB1 Q9Y478 1/20 0.50
NPC1 O15118 2/20 0.47
HTR1A P08908 1/20 0.45
HTR2B P41595 1/20 0.45
ALDH1A1 P00352 3/20 0.45
TSHR P16473 2/20 0.45
HSD17B10 Q99714 2/20 0.45
KDM4E B2RXH2 1/20 0.45
HTT P42858 1/20 0.45
RAB9A P51151 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
LMNA P02545 1/20 0.43

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
SCHEMBL4581108 0.86 CCNC (0.52) NPC1ALDH1A1TSHRHSD17B10RAB9A
SCHEMBL4581759 0.85 CCNC (0.56) NPC1ALDH1A1KDM4ERAB9ALMNA
SCHEMBL18024246 0.84 CCNC (0.55) NPC1ALDH1A1HSD17B10KDM4ERAB9A
SCHEMBL4581243 0.84 PRKAA2 (0.52) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL4580286 0.83 PRKAA2 (0.58) GRIN2BPRKAA2PRKAB2PRKAG1PRKAA1
SCHEMBL4581031 0.83 CCNC (0.43) NPC1ALDH1A1HTTRAB9ASMN1; SMN2
SCHEMBL18024514 0.82 EIF4E (0.49) NPC1ALDH1A1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL4581564 0.81 ALDH1A1 (0.53) NPC1ALDH1A1TSHRHSD17B10KDM4E
SCHEMBL18024140 0.79 CCNC (0.45) ALDH1A1TSHRHSD17B10KDM4ERAB9A
SCHEMBL17981417 0.79 GRIN2B (0.47) GRIN2BHTR1AHTR2BALDH1A1HSD17B10

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 GRIN2B 4451/4885PRKAA2 4491/4885PRKAB2 4072/4885
US-20080032991-A1 2, 8-disubstituted Naphthyridine Derivatives CCNA1, FOXM1, CCNA2 GRIN2B 4451/4885PRKAA2 4491/4885PRKAB2 4072/4885

“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.