SCHEMBL4580378

SCHEMBL4580378

OCC#Cc1cncc2cccnc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
MELK Q14680 1/20 0.41
KDM4E B2RXH2 5/20 0.37
CYP2D6 P10635 4/20 0.37
CYP3A4 P08684 3/20 0.37
MMP2 P08253 2/20 0.37
TSHR P16473 2/20 0.37
CCR1 P32246 2/20 0.37
CCR5 P51681 2/20 0.37
CCR8 P51685 2/20 0.37
GMNN O75496 1/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
HSP90AA1 P07900 1/20 0.37
MAPT P10636 1/20 0.37
MMP9 P14780 1/20 0.37
ALOX15 P16050 1/20 0.37
NFKB1 P19838 1/20 0.37
MMP8 P22894 1/20 0.37
THPO P40225 1/20 0.37

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
SCHEMBL4063821 0.80 CCR1 (0.45) ALDH1A1KDM4ECYP2D6CYP3A4MMP2
SCHEMBL8229220 0.75 HTT (0.47) ALDH1A1KDM4ECYP2D6CYP3A4MMP2
SCHEMBL2012290 0.75 KDM4E (0.43) ALDH1A1KDM4ECYP2D6CYP3A4MMP2
SCHEMBL3745662 0.71 KDM4E (0.47) ALDH1A1KDM4ECYP2D6CYP3A4MMP2
SCHEMBL4579667 0.71 CCNC (0.45) MELK
SCHEMBL13040122 0.69 KDM4E (0.41) ALDH1A1KDM4ECYP2D6CYP3A4MMP2
SCHEMBL277027 0.69 MMP2 (0.61) ALDH1A1KDM4ECYP2D6CYP3A4MMP2
SCHEMBL22031543 0.68 NAPRT (0.39) ALDH1A1MELKKDM4ECYP2D6CYP3A4
SCHEMBL28147041 0.67 MMP2 (0.59) ALDH1A1KDM4ECYP2D6CYP3A4MMP2
SCHEMBL10399061 0.67 MELK (0.49) ALDH1A1MELKKDM4ECYP2D6CYP3A4

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 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 ALDH1A1 107/4885MELK 3347/4885KDM4E 3744/4885
US-20080032991-A1 2, 8-disubstituted Naphthyridine Derivatives CCNA1, FOXM1, CCNA2 ALDH1A1 107/4885MELK 3347/4885KDM4E 3744/4885

“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.