SCHEMBL4580301

SCHEMBL4580301

NC(=O)c1ccc2cncc(-c3ccsc3)c2n1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CCNC P24863 12/20 0.56
CDK8 P49336 12/20 0.56
CHEK2 O96017 3/20 0.46
IKBKB O14920 1/20 0.40
PIM1 P11309 1/20 0.39
CHEK1 O14757 1/20 0.39
CYP2A6 P11509 1/20 0.38
SCN9A Q15858 1/20 0.38
PRKCZ Q05513 1/20 0.38

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
SCHEMBL4578993 0.88 CCNC (0.54) CCNCCDK8CHEK2CYP2A6PRKCZ
SCHEMBL4581027 0.82 CCNC (0.44) CCNCCDK8PIM1PRKCZ
SCHEMBL5267766 0.82 CCNC (0.61) CCNCCDK8PIM1
SCHEMBL4580346 0.80 CCNC (0.64) CCNCCDK8CHEK2PIM1CHEK1
SCHEMBL5263350 0.80 CCNC (0.64) CCNCCDK8PIM1
SCHEMBL4580344 0.79 CCNC (0.50) CCNCCDK8SCN9APRKCZ
SCHEMBL578403 0.79 CCNC (0.67) CCNCCDK8PIM1
SCHEMBL15741563 0.78 CHEK2 (0.40) CCNCCDK8CHEK2CHEK1
SCHEMBL15742747 0.78 CCNC (0.69) CCNCCDK8PIM1
SCHEMBL15742865 0.78 CCNC (0.65) CCNCCDK8CHEK2PIM1

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 516/4885CHEK2 2353/4885
US-20080032991-A1 2, 8-disubstituted Naphthyridine Derivatives CCNA1, FOXM1, CCNA2 CCNC 289/4885CDK8 516/4885CHEK2 2353/4885

“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.