SCHEMBL4579300

SCHEMBL4579300

O=C(NCc1ccncc1)c1ccc2cncc(-c3ccsc3)c2n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.47
CCNC P24863 4/20 0.41
CDK8 P49336 4/20 0.41
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
SCN9A Q15858 1/20 0.39
CDC7 O00311 1/20 0.39
CCNE1 P24864 1/20 0.39
CDK2 P24941 1/20 0.39
DBF4 Q9UBU7 1/20 0.39
ROCK2 O75116 2/20 0.39
ROCK1 Q13464 2/20 0.39
RPS6KA5 O75582 1/20 0.39
MAP4K4 O95819 1/20 0.39
PRKCG P05129 1/20 0.39
PRKACA P17612 1/20 0.39
RPS6KB1 P23443 1/20 0.39
MAPK1 P28482 1/20 0.39
AKT1 P31749 1/20 0.39

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
SCHEMBL15741796 0.92 HPGD (0.44) SMN1; SMN2CCNCCDK8HDAC3HDAC1
SCHEMBL15747561 0.90 SMN1; SMN2 (0.54) SMN1; SMN2CCNCCDK8HDAC3HDAC1
SCHEMBL4581018 0.90 CYP1A2 (0.48) CCNCCDK8MAPK1HTTCYP1A2
SCHEMBL4580768 0.86 MAPK8 (0.54) CCNCCDK8MAPK1MAPK8MAPK9
SCHEMBL15747682 0.86 SMN1; SMN2 (0.50) SMN1; SMN2CCNCCDK8HDAC3HDAC1
SCHEMBL15747629 0.84 ROCK2 (0.53) SMN1; SMN2CCNCCDK8CDC7CCNE1
SCHEMBL15743038 0.83 CNR1 (0.50) SMN1; SMN2CCNCCDK8MMP13CYP1A2
SCHEMBL4581252 0.83 SLC40A1 (0.43) CCNCCDK8SCN9AMAPK8MAPK9
SCHEMBL5317484 0.82 ALDH1A1 (0.50) SMN1; SMN2SCN9AMAPK1HSD17B10HTT
SCHEMBL4580115 0.81 HPGD (0.47) SMN1; SMN2CCNCCDK8SCN9AHSD17B10

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9657014-B2 Substituted 1,6-naphthyridines HOFFMANN-LA ROCHE INC. (US) 2017-05-23 US disclosed
US-20150252044-A1 SUBSTITUTED 1,6-NAPHTHYRIDINES HOFFMANN-LA ROCHE INC. (US) 2015-09-10 US disclosed
US-20080032991-A1 2, 8-disubstituted Naphthyridine Derivatives SERENEX, INC. 2008-02-07 US disclosed
US-20080032991-A1 2, 8-disubstituted Naphthyridine Derivatives SERENEX, INC. 2008-02-07 US disclosed
US-20080032991-A1 2, 8-disubstituted Naphthyridine Derivatives SERENEX, INC. 2008-02-07 US disclosed
US-7282506-B2 2,8-disubstituted naphthyridine derivatives SERENEX, INC. (US) 2007-10-16 US disclosed
US-7282506-B2 2,8-disubstituted naphthyridine derivatives SERENEX, INC. (US) 2007-10-16 US disclosed
US-7282506-B2 2,8-disubstituted naphthyridine derivatives SERENEX, INC. (US) 2007-10-16 US disclosed
US-20060030584-A1 2,8-Disubstituted naphthyridine derivatives SERENEX, INC. 2006-02-09 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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 SMN1; SMN2 2203/4885CCNC 289/4885CDK8 516/4885
US-20080032991-A1 2, 8-disubstituted Naphthyridine Derivatives CCNA1, FOXM1, CCNA2 SMN1; SMN2 2203/4885CCNC 289/4885CDK8 516/4885
US-20150252044-A1 SUBSTITUTED 1,6-NAPHTHYRIDINES CBR3, CBR1, NR2C2 SMN1; SMN2 3260/4885CCNC 1270/4885CDK8 3289/4885

“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.