SCHEMBL4580252

SCHEMBL4580252

O=C(O)c1ccc2cncc(-c3cccs3)c2n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNC P24863 3/20 0.48
CDK8 P49336 3/20 0.48
KDM4E B2RXH2 6/20 0.48
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
PLAUR Q03405 1/20 0.41
PIM1 P11309 1/20 0.40
PIM3 Q86V86 1/20 0.40
PLK3 Q9H4B4 1/20 0.40
PIM2 Q9P1W9 1/20 0.40
SRPK1 Q96SB4 1/20 0.39
RPS6KB2 Q9UBS0 1/20 0.39
HDAC1 Q13547 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
MGAM O43451 1/20 0.37
ERCC1 P07992 1/20 0.36
FEN1 P39748 1/20 0.36
ERCC4 Q92889 1/20 0.36
GPR35 Q9HC97 2/20 0.36

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
SCHEMBL4579857 0.78 CCNC (0.64) CCNCCDK8KDM4EKMT2AMEN1
SCHEMBL4579213 0.78 CCNC (0.48) CCNCCDK8KDM4EKMT2AMEN1
SCHEMBL4580245 0.77 KDM4E (0.45) KDM4EKMT2AMEN1PIM1PIM3
SCHEMBL4580733 0.76 KDM4E (0.44) KDM4EKMT2AMEN1PLAURPIM1
SCHEMBL14266823 0.75 ALDH1A1 (0.59) KDM4EKMT2AMEN1ALDH1A1HTT
SCHEMBL4578993 0.75 CCNC (0.54) CCNCCDK8KDM4EKMT2AGPR35
SCHEMBL6637110 0.72 CCNC (0.48) CCNCCDK8KDM4EKMT2AMEN1
SCHEMBL15742720 0.71 CCNC (0.63) CCNCCDK8KDM4EKMT2A
SCHEMBL13313431 0.71 KDM4E (0.61) CCNCCDK8KDM4EKMT2AMEN1
SCHEMBL2118764 0.70 FDPS (0.46) KDM4EKMT2AMEN1PLAURPIM1

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 disclosed
US-7282506-B2 2,8-disubstituted naphthyridine derivatives SERENEX, INC. (US) 2007-10-16 US disclosed
EP-1773834-A2 2, 8-DISUBSTITUTED NAPHTHYRIDINE DERIVATIVES Serenex, Inc. (US) 2007-04-18 EP disclosed
WO-2006017672-A2 2, 8-DISUBSTITUTED NAPHTHYRIDINE DERIVATIVES SERENEX INC. (US) 2006-02-16 WO 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 CCNC 289/4885CDK8 516/4885KDM4E 3744/4885
US-20080032991-A1 2, 8-disubstituted Naphthyridine Derivatives CCNA1, FOXM1, CCNA2 CCNC 289/4885CDK8 516/4885KDM4E 3744/4885

“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.