SCHEMBL4581111

SCHEMBL4581111

O=C(NCc1ccc(Cl)cc1)c1ccc2cncc(-c3ccccc3)c2n1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.55
SCN10A Q9Y5Y9 2/20 0.50
SCN2A Q99250 1/20 0.50
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
HPGD P15428 1/20 0.49
CYP2C19 P33261 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
KDM4E B2RXH2 1/20 0.47
TSHR P16473 1/20 0.46
EGLN1 Q9GZT9 1/20 0.44
PLK4 O00444 1/20 0.44
AURKA O14965 1/20 0.44
PDPK1 O15530 1/20 0.44
DYRK3 O43781 1/20 0.44
PRKD3 O94806 1/20 0.44
MAP4K4 O95819 1/20 0.44
CHEK2 O96017 1/20 0.44
RET P07949 1/20 0.44
FGFR1 P11362 1/20 0.44

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
SCHEMBL15742967 0.96 CNR1 (0.61) CNR1SCN10ASCN2ACYP1A2CYP2C9
SCHEMBL15741561 0.92 HPGD (0.50) CNR1HPGDCCNCCDK8ALDH1A1
SCHEMBL15743038 0.89 CNR1 (0.50) CNR1SCN10ASCN2ACYP1A2CYP2C9
SCHEMBL15742999 0.88 CNR1 (0.53) CNR1SCN10ASCN2AHPGDMAPK1
SCHEMBL15747629 0.86 ROCK2 (0.53) CNR1HPGDEGLN1MAP4K4RPS6KB1
SCHEMBL15747552 0.86 ALDH1A1 (0.55) CNR1CYP1A2CYP2C9HPGDCYP2C19
SCHEMBL15742715 0.86 CCR1 (0.48) CNR1CYP1A2CYP2C9HPGDCYP2C19
SCHEMBL17061098 0.85 KMT2A (0.53) CYP1A2HPGDCYP2C19EGLN1MAPK1
SCHEMBL4581018 0.85 CYP1A2 (0.48) CNR1SCN10ASCN2ACYP1A2CYP2C9
SCHEMBL4580114 0.85 MAPK8 (0.47) CYP2C9MAPK8MAPK9CCNCCDK8

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 CNR1 152/4885SCN10A 4226/4885SCN2A 2645/4885
US-20080032991-A1 2, 8-disubstituted Naphthyridine Derivatives CCNA1, FOXM1, CCNA2 CNR1 152/4885SCN10A 4226/4885SCN2A 2645/4885

“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.