SCHEMBL4579902

SCHEMBL4579902

O=C(O)c1ccc2cncc(NC3CC3)c2n1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCNC P24863 1/20 0.43
CDK8 P49336 1/20 0.43
MMP2 P08253 4/20 0.41
HCAR3 P49019 4/20 0.40
KDM4E B2RXH2 1/20 0.39
KMT2A Q03164 1/20 0.39
ROCK2 O75116 1/20 0.36
ROCK1 Q13464 1/20 0.36
CSNK2A2 P19784 1/20 0.35
CSNK2B P67870 1/20 0.35
CSNK2A1 P68400 1/20 0.35

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 0.75 MMP2 (0.46) CCNCCDK8MMP2KDM4EKMT2A
SCHEMBL4579533 0.74 ADRA2A (0.47) CCNCCDK8MMP2KDM4EKMT2A
SCHEMBL4580442 0.72 P4HTM (0.43) CCNCCDK8MMP2KDM4EKMT2A
SCHEMBL4580096 0.72 MMP2 (0.42) CCNCCDK8MMP2KDM4EKMT2A
SCHEMBL13313431 0.72 KDM4E (0.61) CCNCCDK8MMP2KDM4EKMT2A
SCHEMBL4581101 0.71 KDM4C (0.49) KDM4EKMT2A
SCHEMBL4582757 0.71 GSK3A (0.42) CCNCCDK8MMP2KDM4EKMT2A
SCHEMBL4580993 0.71 KDM4E (0.41) CCNCCDK8MMP2KDM4EKMT2A
SCHEMBL4581447 0.71 CCNC (0.39) CCNCCDK8MMP2KDM4EKMT2A
SCHEMBL578828 0.70 CCNC (0.47) CCNCCDK8MMP2KDM4EKMT2A

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 CCNC 289/4885CDK8 516/4885MMP2 900/4885
US-20080032991-A1 2, 8-disubstituted Naphthyridine Derivatives CCNA1, FOXM1, CCNA2 CCNC 289/4885CDK8 516/4885MMP2 900/4885

“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.