SCHEMBL4579213

SCHEMBL4579213

O=C(O)c1ccc2cncc(-c3ccc(C(=O)O)s3)c2n1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CCNC P24863 3/20 0.48
CDK8 P49336 3/20 0.48
MKNK1 Q9BUB5 1/20 0.44
MKNK2 Q9HBH9 1/20 0.44
ALDH1A1 P00352 5/20 0.42
HPGD P15428 4/20 0.42
KDM4E B2RXH2 4/20 0.42
GAA P10253 2/20 0.42
RPS6KB2 Q9UBS0 1/20 0.40
KMT2A Q03164 2/20 0.39
POLB P06746 2/20 0.39
RAB9A P51151 2/20 0.39
MEN1 O00255 1/20 0.39
TDP1 Q9NUW8 1/20 0.37
NPC1 O15118 1/20 0.36
GLA P06280 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL4580001 0.87 CCNC (0.51) CCNCCDK8MKNK1MKNK2ALDH1A1
Hydrochloric Acid SCHEMBL4581072 0.86 CCNC (0.50) CCNCCDK8MKNK1MKNK2ALDH1A1
SCHEMBL4579997 0.84 KDM4E (0.41) CCNCCDK8MKNK1MKNK2HPGD
SCHEMBL4581323 0.82 CCNC (0.41) CCNCCDK8MKNK1MKNK2ALDH1A1
SCHEMBL4580596 0.82 CCNC (0.41) CCNCCDK8MKNK1MKNK2ALDH1A1
SCHEMBL4581316 0.80 AKT3 (0.49) CCNCCDK8ALDH1A1HPGDKDM4E
SCHEMBL4580537 0.80 MKNK1 (0.54) MKNK1MKNK2ALDH1A1HPGDKDM4E
SCHEMBL4581556 0.79 CCNC (0.53) CCNCCDK8ALDH1A1HPGDKDM4E
SCHEMBL4580591 0.79 ACKR3 (0.43) CCNCCDK8ALDH1A1HPGDKDM4E
SCHEMBL4579596 0.78 ALDH1A1 (0.46) ALDH1A1HPGDKDM4EGAAKMT2A

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 3 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
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 516/4885MKNK1 4170/4885
US-20080032991-A1 2, 8-disubstituted Naphthyridine Derivatives CCNA1, FOXM1, CCNA2 CCNC 289/4885CDK8 516/4885MKNK1 4170/4885

“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.