SCHEMBL5872099

SCHEMBL5872099

O=c1[nH]c2ncccc2c([O-])c1[I+]c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 4/20 0.53
PARP1 P09874 4/20 0.53
ADORA2A P29274 1/20 0.43
ADORA1 P30542 1/20 0.43
LOXL3 P58215 1/20 0.40
LOXL2 Q9Y4K0 1/20 0.40
CDK4 P11802 1/20 0.39
CCND1 P24385 1/20 0.39
GRIN2D O15399 1/20 0.39
GRIN3B O60391 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2A Q12879 1/20 0.39
GRIN2B Q13224 1/20 0.39
GRIN2C Q14957 1/20 0.39
GRIN3A Q8TCU5 1/20 0.39
FEN1 P39748 1/20 0.38
FGFR1 P11362 1/20 0.38
FLT1 P17948 1/20 0.38
AURKB Q96GD4 1/20 0.38
GABRA1 P14867 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
SCHEMBL5871920 0.70 FEN1 (0.45) FEN1
SCHEMBL5872307 0.70 CCNA2 (0.39)
SCHEMBL6531057 0.70 PARP1 (1.00) AURKAPARP1ADORA2AADORA1LOXL3
SCHEMBL5871709 0.69 FEN1 (0.50) LOXL3LOXL2FEN1
SCHEMBL5872030 0.69 PDE4D (0.43)
SCHEMBL653371 0.67 AURKA (0.79) AURKAPARP1ADORA2AADORA1LOXL3
SCHEMBL5871960 0.67 CNR1 (0.45)
SCHEMBL7956548 0.67 AURKA (0.46) AURKAPARP1ADORA2AADORA1CDK4
SCHEMBL10528960 0.65 PARP1 (0.70) AURKAPARP1ADORA2AADORA1LOXL3
SCHEMBL8692300 0.64 GRIN2D (0.73) AURKAPARP1ADORA2AADORA1LOXL3

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-7071187-B2 Naphthyridine derivatives OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 2006-07-04 US disclosed
US-20040214853-A1 Naphthyridine derivatives OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 2004-10-28 US disclosed
EP-1426374-A1 NAPHTHYRIDINE DERIVATIVE OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 2004-06-09 EP disclosed
US-6245779-B1 ANALGESICS; ANTIINFLAMMATORY AGENTS OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 2001-06-12 US disclosed
EP-0997463-A1 NAPHTHYRIDINE DERIVATIVES OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 2000-05-03 EP 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 (1 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-20040214853-A1 Naphthyridine derivatives MT-ND1, OPRD1, NR0B1 AURKA 4389/4885PARP1 891/4885ADORA2A 2422/4885

“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.