SCHEMBL4581250

SCHEMBL4581250

O=C(O)c1ccc2cncc(NCc3ccccn3)c2n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
MMP2 P08253 3/20 0.46
KDM4E B2RXH2 4/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
MAPT P10636 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
SMN1; SMN2 Q16637 4/20 0.43
NPC1 O15118 4/20 0.41
RAB9A P51151 4/20 0.41
POLB P06746 2/20 0.41
HPGD P15428 2/20 0.41
TP53 P04637 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
SCHEMBL4581101 0.81 KDM4C (0.49) HDAC3HDAC1HDAC2HDAC6KDM4E
SCHEMBL4582783 0.81 KDM4E (0.49) HDAC3HDAC1HDAC2HDAC6KDM4E
SCHEMBL4581093 0.77 KDM4E (0.58) MMP2KDM4EMAPTSMN1; SMN2HPGD
SCHEMBL4580845 0.75 MMP2 (0.46) MMP2KDM4EMAPTKMT2AKDM4C
SCHEMBL4580096 0.74 MMP2 (0.42) MMP2KDM4EMAPTRAB9AKMT2A
SCHEMBL4581648 0.73 AURKA (0.47) KDM4EMAPTSMN1; SMN2HTTAURKA
SCHEMBL6637110 0.73 CCNC (0.48) MMP2KDM4EMEN1KMT2AKDM6B
SCHEMBL18394876 0.72 MAOA (0.56) HDAC3HDAC1HDAC2HDAC6KDM4E
SCHEMBL29664470 0.72 MAOA (0.56) HDAC3HDAC1HDAC2HDAC6KDM4E
SCHEMBL4579533 0.71 ADRA2A (0.47) MMP2KDM4EMEN1KMT2AKDM4C

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 HDAC3 988/4885HDAC1 496/4885HDAC2 455/4885
US-20080032991-A1 2, 8-disubstituted Naphthyridine Derivatives CCNA1, FOXM1, CCNA2 HDAC3 988/4885HDAC1 496/4885HDAC2 455/4885

“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.