SCHEMBL4581031

SCHEMBL4581031

O=C(c1ccc2cncc(-c3cc4ccccc4o3)c2n1)N1CCC(O)CC1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCNC P24863 5/20 0.43
CDK8 P49336 5/20 0.43
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
ALDH1A1 P00352 2/20 0.43
HPGD P15428 2/20 0.43
NAMPT P43490 1/20 0.41
EIF4E P06730 7/20 0.40
MKNK1 Q9BUB5 7/20 0.40
MKNK2 Q9HBH9 7/20 0.40
KCNH2 Q12809 4/20 0.40
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
HTT P42858 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
SCHEMBL18024514 0.91 EIF4E (0.49) CCNCCDK8NPC1RAB9ASMN1; SMN2
SCHEMBL4581108 0.89 CCNC (0.52) CCNCCDK8NPC1RAB9ASMN1; SMN2
SCHEMBL4581759 0.88 CCNC (0.56) CCNCCDK8NPC1RAB9ASMN1; SMN2
SCHEMBL18024246 0.87 CCNC (0.55) CCNCCDK8NPC1RAB9AALDH1A1
SCHEMBL4581564 0.85 ALDH1A1 (0.53) CCNCCDK8NPC1RAB9ASMN1; SMN2
SCHEMBL4580840 0.83 GRIN2B (0.54) NPC1RAB9ASMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL4581691 0.81 CCNC (0.56) CCNCCDK8
SCHEMBL18024140 0.80 CCNC (0.45) CCNCCDK8RAB9AALDH1A1HPGD
SCHEMBL18024141 0.76 KDM4E (0.44) NPC1RAB9ASMN1; SMN2ALDH1A1HPGD
SCHEMBL4581243 0.74 PRKAA2 (0.52)

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 516/4885NPC1 916/4885
US-20080032991-A1 2, 8-disubstituted Naphthyridine Derivatives CCNA1, FOXM1, CCNA2 CCNC 289/4885CDK8 516/4885NPC1 916/4885

“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.