SCHEMBL4580115

SCHEMBL4580115

COCCNC(=O)c1ccc2cncc(-c3ccsc3)c2n1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.47
ALDH1A1 P00352 2/20 0.47
CCNC P24863 7/20 0.44
CDK8 P49336 7/20 0.44
PIM1 P11309 1/20 0.42
HIF1A Q16665 1/20 0.39
RAB9A P51151 3/20 0.39
NPC1 O15118 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
FYN P06241 1/20 0.39
LMNA P02545 1/20 0.38
SCN9A Q15858 2/20 0.38
SCN10A Q9Y5Y9 2/20 0.38
MAPT P10636 1/20 0.38
KDM4E B2RXH2 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CYP1A2 P05177 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
SCHEMBL15742853 0.87 ALDH1A1 (0.51) HPGDALDH1A1CCNCCDK8PIM1
SCHEMBL15747548 0.85 ALDH1A1 (0.52) HPGDALDH1A1CCNCCDK8PIM1
SCHEMBL4581070 0.84 ALDH1A1 (0.57) HPGDALDH1A1CCNCCDK8PIM1
SCHEMBL15747658 0.83 HPGD (0.49) HPGDALDH1A1CCNCCDK8PIM1
SCHEMBL15747659 0.83 ALDH1A1 (0.49) HPGDALDH1A1CCNCCDK8PIM1
SCHEMBL18879555 0.81 CCNC (0.46) CCNCCDK8PIM1RAB9ANPC1
SCHEMBL15741702 0.81 MEN1 (0.55) HPGDALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL4579300 0.81 SMN1; SMN2 (0.47) HPGDCCNCCDK8SMN1; SMN2SCN9A
SCHEMBL15741796 0.81 HPGD (0.44) HPGDALDH1A1CCNCCDK8RAB9A
SCHEMBL4581018 0.79 CYP1A2 (0.48) HPGDALDH1A1CCNCCDK8SCN10A

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 HPGD 808/4885ALDH1A1 107/4885CCNC 289/4885
US-20080032991-A1 2, 8-disubstituted Naphthyridine Derivatives CCNA1, FOXM1, CCNA2 HPGD 808/4885ALDH1A1 107/4885CCNC 289/4885

“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.