SCHEMBL4581093

SCHEMBL4581093

O=C(O)c1ccc2cncc(NCc3ccco3)c2n1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.58
KDM6B O15054 1/20 0.58
KDM4A O75164 1/20 0.58
KDM5C P41229 1/20 0.58
KDM4D Q6B0I6 1/20 0.58
KDM4C Q9H3R0 1/20 0.58
ALDH1A1 P00352 5/20 0.42
KMT2A Q03164 4/20 0.42
TDP1 Q9NUW8 3/20 0.42
MEN1 O00255 3/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
HTR1A P08908 1/20 0.41
CA4 P22748 1/20 0.41
CA6 P23280 1/20 0.41
HSD11B1 P28845 1/20 0.41
CA5A P35218 1/20 0.41
CA7 P43166 1/20 0.41
SLC10A1 Q14973 1/20 0.41

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
SCHEMBL5148147 0.79 ALDH1A1 (0.52) KDM4EKDM6BKDM4AKDM5CKDM4D
SCHEMBL4579023 0.78 ALDH1A1 (0.50) KDM4EALDH1A1KMT2ATDP1MEN1
SCHEMBL4581101 0.78 KDM4C (0.49) KDM4EKDM6BKDM4AKDM4DKDM4C
SCHEMBL4582783 0.77 KDM4E (0.49) KDM4EKDM6BKDM4AKDM4DKDM4C
SCHEMBL4581250 0.77 HDAC3 (0.47) KDM4EKDM6BKDM4AKDM4DKDM4C
SCHEMBL4580503 0.75 ALDH1A1 (0.52) KDM4EKDM6BKDM4AKDM5CKDM4D
SCHEMBL4580096 0.74 MMP2 (0.42) KDM4EKDM4CKMT2ATDP1MAPT
SCHEMBL18247811 0.74 KDM4C (1.00) KDM4EKDM6BKDM4AKDM5CKDM4D
SCHEMBL29576784 0.74 KDM4C (1.00) KDM4EKDM6BKDM4AKDM5CKDM4D
SCHEMBL4580889 0.73 MAPT (0.59) KDM4EALDH1A1KMT2ATDP1MEN1

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 KDM4E 3744/4885KDM6B 3038/4885KDM4A 3094/4885
US-20080032991-A1 2, 8-disubstituted Naphthyridine Derivatives CCNA1, FOXM1, CCNA2 KDM4E 3744/4885KDM6B 3038/4885KDM4A 3094/4885

“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.