SCHEMBL4578733

SCHEMBL4578733

O=C(NCc1ccco1)c1ccc2cncc(C#Cc3ccccc3)c2n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.54
ALDH1A1 P00352 5/20 0.48
KMT2A Q03164 3/20 0.48
TDP1 Q9NUW8 3/20 0.48
MEN1 O00255 2/20 0.48
RAB9A P51151 5/20 0.46
NPC1 O15118 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
SCN9A Q15858 1/20 0.46
PKM P14618 1/20 0.45
HPGD P15428 4/20 0.44
MAPT P10636 3/20 0.44
TP53 P04637 1/20 0.44
TSHR P16473 1/20 0.44
POLB P06746 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41
MAPK1 P28482 1/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL4580790 0.87 ALDH1A1 (0.49) GRM5ALDH1A1KMT2ATDP1MEN1
SCHEMBL4581265 0.86 ALDH1A1 (0.53) ALDH1A1KMT2ATDP1MEN1RAB9A
SCHEMBL5147100 0.86 ALDH1A1 (0.47) ALDH1A1KMT2ATDP1MEN1RAB9A
SCHEMBL5260889 0.83 TDP1 (0.45) GRM5ALDH1A1KMT2ATDP1MEN1
SCHEMBL4581450 0.81 ALDH1A1 (0.44) GRM5ALDH1A1KMT2ATDP1MEN1
SCHEMBL4581515 0.80 ALDH1A1 (0.42) ALDH1A1KMT2ATDP1MEN1RAB9A
SCHEMBL14266821 0.80 ALDH1A1 (0.55) ALDH1A1KMT2ATDP1MEN1RAB9A
SCHEMBL4579023 0.80 ALDH1A1 (0.50) ALDH1A1KMT2ATDP1MEN1RAB9A
SCHEMBL4580571 0.77 KDM4E (0.42) GRM5KMT2ATDP1MEN1RAB9A
SCHEMBL4580503 0.75 ALDH1A1 (0.52) ALDH1A1KMT2ATDP1MEN1RAB9A

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 GRM5 4441/4885ALDH1A1 107/4885KMT2A 2613/4885
US-20080032991-A1 2, 8-disubstituted Naphthyridine Derivatives CCNA1, FOXM1, CCNA2 GRM5 4441/4885ALDH1A1 107/4885KMT2A 2613/4885

“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.