SCHEMBL4580320

SCHEMBL4580320

O=C(c1ccc2cncc(-c3ccccc3)c2n1)N1CCC2(CC1)OCCO2

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
CCNC P24863 7/20 0.55
CDK8 P49336 7/20 0.55
ALDH1A1 P00352 10/20 0.51
LMNA P02545 2/20 0.51
TSHR P16473 2/20 0.51
GAA P10253 2/20 0.51
KDM4E B2RXH2 2/20 0.51
USP2 O75604 1/20 0.51
MAPT P10636 1/20 0.51
HPGD P15428 1/20 0.51
CASP1 P29466 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
HSD17B10 Q99714 1/20 0.51
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49

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
SCHEMBL4580362 0.86 CCNC (0.49) NPC1RAB9ASMN1; SMN2CCNCCDK8
SCHEMBL4581564 0.84 ALDH1A1 (0.53) NPC1RAB9ASMN1; SMN2CCNCCDK8
SCHEMBL5263312 0.83 CCNC (0.69) NPC1RAB9ASMN1; SMN2CCNCCDK8
SCHEMBL4581691 0.80 CCNC (0.56) CCNCCDK8TSHR
SCHEMBL4580286 0.77 PRKAA2 (0.58) NPC1RAB9ASMN1; SMN2CCNCCDK8
SCHEMBL4578631 0.76 ALDH1A1 (0.59) CCNCCDK8ALDH1A1LMNATSHR
SCHEMBL15742914 0.75 CCNC (0.72) NPC1RAB9ASMN1; SMN2CCNCCDK8
SCHEMBL10138246 0.74 CCNC (0.57) CCNCCDK8
SCHEMBL4580346 0.74 CCNC (0.64) CCNCCDK8ALDH1A1
SCHEMBL15743093 0.73 CCNC (0.59) NPC1RAB9ACCNCCDK8KMT2A

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 10 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
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 (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 NPC1 916/4885RAB9A 1040/4885SMN1; SMN2 2203/4885
US-20080032991-A1 2, 8-disubstituted Naphthyridine Derivatives CCNA1, FOXM1, CCNA2 NPC1 916/4885RAB9A 1040/4885SMN1; SMN2 2203/4885

“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.