SCHEMBL4580584

SCHEMBL4580584

O=C(NCc1ccco1)c1ccc2cncc(Nc3ccc(C(F)(F)F)cc3)c2n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.48
CNR2 P34972 1/20 0.47
POLB P06746 1/20 0.46
ALDH1A1 P00352 5/20 0.45
TDP1 Q9NUW8 2/20 0.45
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
MAPT P10636 4/20 0.45
LMNA P02545 3/20 0.45
MAPK1 P28482 2/20 0.45
MLYCD O95822 1/20 0.43
HPGD P15428 3/20 0.43
KDM4E B2RXH2 2/20 0.42
HSD17B10 Q99714 2/20 0.42
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PKM P14618 1/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 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
SCHEMBL4580266 0.90 POLB (0.53) GAACNR2POLBALDH1A1TDP1
SCHEMBL4580503 0.89 ALDH1A1 (0.52) CNR2POLBALDH1A1TDP1KMT2A
SCHEMBL4579023 0.88 ALDH1A1 (0.50) CNR2POLBALDH1A1TDP1KMT2A
SCHEMBL4580889 0.88 MAPT (0.59) GAAPOLBALDH1A1TDP1KMT2A
SCHEMBL4581518 0.85 MAPT (0.61) GAAPOLBALDH1A1TDP1KMT2A
SCHEMBL4581576 0.84 ALDH1A1 (0.53) CNR2POLBALDH1A1TDP1KMT2A
SCHEMBL4581196 0.79 ALDH1A1 (0.60) CNR2POLBALDH1A1TDP1KMT2A
SCHEMBL4581123 0.78 TAS2R14 (0.43) KDM4ENPC1RAB9AGSK3AGSK3B
SCHEMBL14266821 0.77 ALDH1A1 (0.55) POLBALDH1A1TDP1KMT2AMEN1
SCHEMBL5148147 0.76 ALDH1A1 (0.52) POLBALDH1A1TDP1KMT2AMEN1

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 6 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
US-20080032991-A1 2, 8-disubstituted Naphthyridine Derivatives SERENEX, INC. 2008-02-07 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 GAA 2225/4885CNR2 189/4885POLB 2026/4885
US-20080032991-A1 2, 8-disubstituted Naphthyridine Derivatives CCNA1, FOXM1, CCNA2 GAA 2225/4885CNR2 189/4885POLB 2026/4885

“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.