SCHEMBL4580748

SCHEMBL4580748

COc1cc(OC)nc(CN2CCN(C(=O)c3ccc4cncc(-c5ccsc5)c4n3)CC2)n1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CCNC P24863 10/20 0.45
CDK8 P49336 10/20 0.45
KCNK3 O14649 4/20 0.36
KCNK9 Q9NPC2 4/20 0.36
ALDH1A1 P00352 1/20 0.35
ALOX12 P18054 1/20 0.35
LMNA P02545 1/20 0.35
EPHX2 P34913 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
SCHEMBL15747555 0.86 CCNC (0.52) CCNCCDK8KCNK3KCNK9ALDH1A1
SCHEMBL4580445 0.84 PRKAA2 (0.52) CCNCCDK8ALDH1A1
SCHEMBL5267766 0.80 CCNC (0.61) CCNCCDK8
SCHEMBL5263350 0.78 CCNC (0.64) CCNCCDK8
SCHEMBL4580344 0.77 CCNC (0.50) CCNCCDK8
SCHEMBL4580362 0.74 CCNC (0.49) CCNCCDK8ALDH1A1LMNA
SCHEMBL4581298 0.74 ALDH1A1 (0.46) CCNCCDK8ALDH1A1LMNA
SCHEMBL4578942 0.74 BCHE (0.54) CCNCCDK8ALDH1A1ALOX12LMNA
SCHEMBL4580286 0.72 PRKAA2 (0.58) CCNCCDK8ALDH1A1LMNA
SCHEMBL4580301 0.72 CCNC (0.56) CCNCCDK8

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 516/4885KCNK3 2707/4885
US-20080032991-A1 2, 8-disubstituted Naphthyridine Derivatives CCNA1, FOXM1, CCNA2 CCNC 289/4885CDK8 516/4885KCNK3 2707/4885

“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.