SCHEMBL4579533

SCHEMBL4579533

O=C(O)c1ccc2cncc(Nc3ccncc3)c2n1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.47
ADRA2B P18089 1/20 0.47
ADRA2C P18825 1/20 0.47
ADRA1A P35348 1/20 0.47
MMP2 P08253 4/20 0.41
CCNC P24863 1/20 0.41
CDK8 P49336 1/20 0.41
KDM4E B2RXH2 2/20 0.39
KMT2A Q03164 2/20 0.39
GSK3A P49840 1/20 0.39
GSK3B P49841 1/20 0.39
KDM4C Q9H3R0 2/20 0.37
CAMK2D Q13557 1/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 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
SCHEMBL4580845 0.90 MMP2 (0.46) ADRA2AADRA2BADRA2CADRA1AMMP2
SCHEMBL4580442 0.86 P4HTM (0.43) MMP2CCNCCDK8KDM4EKMT2A
SCHEMBL4581123 0.85 TAS2R14 (0.43) MMP2CCNCCDK8KDM4EGSK3A
SCHEMBL4582757 0.85 GSK3A (0.42) MMP2CCNCCDK8KDM4EKMT2A
SCHEMBL4580475 0.83 AKR1C3 (0.48) KMT2AGSK3AGSK3BMEN1LMNA
SCHEMBL4581447 0.82 CCNC (0.39) MMP2CCNCCDK8KDM4EKMT2A
SCHEMBL4580993 0.80 KDM4E (0.41) MMP2CCNCCDK8KDM4EKMT2A
SCHEMBL4581101 0.80 KDM4C (0.49) ADRA2CKDM4EKMT2AKDM4CMEN1
SCHEMBL14368822 0.79 AKR1C3 (0.40) ADRA2AADRA2BADRA2CADRA1AMMP2
SCHEMBL5183236 0.76 MPO (0.50) MMP2KMT2AMEN1LMNA

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 ADRA2A 191/4885ADRA2B 578/4885ADRA2C 428/4885
US-20080032991-A1 2, 8-disubstituted Naphthyridine Derivatives CCNA1, FOXM1, CCNA2 ADRA2A 191/4885ADRA2B 578/4885ADRA2C 428/4885

“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.