SCHEMBL4582783

SCHEMBL4582783

O=C(O)c1ccc2cncc(NCc3cccnc3)c2n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.49
KDM4C Q9H3R0 3/20 0.49
KDM6B O15054 1/20 0.49
KDM4A O75164 1/20 0.49
KDM4D Q6B0I6 1/20 0.49
HDAC3 O15379 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
LTA4H P09960 1/20 0.46
VNN1 O95497 1/20 0.45
RPS6KB1 P23443 1/20 0.45
AKT1 P31749 1/20 0.45
USP2 O75604 1/20 0.44
ALDH1A1 P00352 3/20 0.44
RECQL P46063 1/20 0.44
KDM5B Q9UGL1 1/20 0.43
MAPT P10636 2/20 0.42
GAA P10253 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL4581101 0.86 KDM4C (0.49) KDM4EKDM4CKDM6BKDM4AKDM4D
SCHEMBL4581250 0.81 HDAC3 (0.47) KDM4EKDM4CKDM6BKDM4AKDM4D
SCHEMBL5148147 0.80 ALDH1A1 (0.52) KDM4EKDM4CKDM6BKDM4AKDM4D
SCHEMBL4581648 0.80 AURKA (0.47) KDM4EKDM4CVNN1RPS6KB1ALDH1A1
SCHEMBL4582757 0.79 GSK3A (0.42) KDM4EALDH1A1MEN1KMT2A
SCHEMBL14287188 0.78 HTT (0.41) KDM4EHDAC3HDAC1HDAC2HDAC6
SCHEMBL4581093 0.77 KDM4E (0.58) KDM4EKDM4CKDM6BKDM4AKDM4D
SCHEMBL4580096 0.74 MMP2 (0.42) KDM4EKDM4CMAPTKMT2A
SCHEMBL4580845 0.72 MMP2 (0.46) KDM4EKDM4CMAPTKMT2A
SCHEMBL4579533 0.71 ADRA2A (0.47) KDM4EKDM4CMEN1KMT2A

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 7 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
US-20080032991-A1 2, 8-disubstituted Naphthyridine Derivatives SERENEX, INC. 2008-02-07 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 KDM4E 3744/4885KDM4C 2536/4885KDM6B 3038/4885
US-20080032991-A1 2, 8-disubstituted Naphthyridine Derivatives CCNA1, FOXM1, CCNA2 KDM4E 3744/4885KDM4C 2536/4885KDM6B 3038/4885

“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.