SCHEMBL4581648

SCHEMBL4581648

COc1cccc(CNc2cncc3ccc(C(=O)O)nc23)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 2/20 0.47
RPS6KB1 P23443 2/20 0.47
AURKB Q96GD4 1/20 0.47
HIF1A Q16665 1/20 0.47
KDM5A P29375 2/20 0.46
KDM4C Q9H3R0 2/20 0.46
KDM5B Q9UGL1 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
KDM4E B2RXH2 1/20 0.45
ASPH Q12797 1/20 0.45
RIOX2 Q8IUF8 1/20 0.45
KDM8 Q8N371 1/20 0.45
ACP1 P24666 1/20 0.44
PRKACA P17612 1/20 0.44
GRK5 P34947 1/20 0.44
PRKX P51817 1/20 0.44
PRKCQ Q04759 1/20 0.44
ROCK1 Q13464 1/20 0.44

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
SCHEMBL4582783 0.80 KDM4E (0.49) RPS6KB1KDM4CKDM5BMEN1KMT2A
SCHEMBL4581101 0.78 KDM4C (0.49) KDM4CKDM5BMEN1KMT2AKDM4E
SCHEMBL4580475 0.74 AKR1C3 (0.48) MEN1KMT2ASMN1; SMN2ALDH1A1HTT
SCHEMBL4581250 0.73 HDAC3 (0.47) AURKARPS6KB1KDM4CMEN1KMT2A
SCHEMBL4581093 0.72 KDM4E (0.58) AURKARPS6KB1AURKBKDM4CMEN1
SCHEMBL9594692 0.72 APEX1 (0.58) HIF1AHDAC8MEN1KMT2AKDM4E
SCHEMBL9594209 0.72 AKR1C3 (0.61) HIF1AKDM5AKDM4CKDM5BHDAC8
SCHEMBL4580096 0.72 MMP2 (0.42) KDM4CKMT2AKDM4EMAPT
SCHEMBL15742992 0.71 DGAT2 (0.51) AURKAMEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL5096069 0.70 ROCK2 (0.59) AURKAMEN1KMT2AKDM4EPRKACA

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 AURKA 1809/4885RPS6KB1 774/4885AURKB 1781/4885
US-20080032991-A1 2, 8-disubstituted Naphthyridine Derivatives CCNA1, FOXM1, CCNA2 AURKA 1809/4885RPS6KB1 774/4885AURKB 1781/4885

“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.