SCHEMBL4581576

SCHEMBL4581576

O=C(NCc1ccco1)c1ccc2cncc(Nc3cccnc3)c2n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.53
KMT2A Q03164 5/20 0.53
MEN1 O00255 4/20 0.53
TDP1 Q9NUW8 3/20 0.53
MAPK1 P28482 3/20 0.45
PKM P14618 1/20 0.44
MAPT P10636 6/20 0.43
POLB P06746 2/20 0.43
KDM4E B2RXH2 4/20 0.43
CNR2 P34972 1/20 0.43
LMNA P02545 3/20 0.43
TSHR P16473 3/20 0.42
HSD17B10 Q99714 2/20 0.42
USP2 O75604 1/20 0.42
HPGD P15428 3/20 0.42
ALOX15 P16050 1/20 0.42
RAB9A P51151 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 2/20 0.42
KDM6B O15054 1/20 0.42

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
SCHEMBL4579023 0.91 ALDH1A1 (0.50) ALDH1A1KMT2AMEN1TDP1MAPK1
SCHEMBL4580503 0.90 ALDH1A1 (0.52) ALDH1A1KMT2AMEN1TDP1MAPK1
SCHEMBL4580889 0.86 MAPT (0.59) ALDH1A1KMT2AMEN1TDP1MAPK1
SCHEMBL5148147 0.85 ALDH1A1 (0.52) ALDH1A1KMT2AMEN1TDP1MAPK1
SCHEMBL4581196 0.85 ALDH1A1 (0.60) ALDH1A1KMT2AMEN1TDP1MAPK1
SCHEMBL4580584 0.84 GAA (0.48) ALDH1A1KMT2AMEN1TDP1MAPK1
SCHEMBL4581518 0.84 MAPT (0.61) ALDH1A1KMT2AMEN1TDP1MAPK1
SCHEMBL4580266 0.83 POLB (0.53) ALDH1A1KMT2AMEN1TDP1MAPK1
SCHEMBL14286990 0.80 GSK3A (0.35) KMT2APOLBTSHRHPGDRAB9A
SCHEMBL14266821 0.79 ALDH1A1 (0.55) ALDH1A1KMT2AMEN1TDP1PKM

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 12 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
US-20080032991-A1 2, 8-disubstituted Naphthyridine Derivatives SERENEX, INC. 2008-02-07 US disclosed
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-7282506-B2 2,8-disubstituted naphthyridine derivatives SERENEX, INC. (US) 2007-10-16 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 107/4885KMT2A 2613/4885MEN1 2217/4885
US-20080032991-A1 2, 8-disubstituted Naphthyridine Derivatives CCNA1, FOXM1, CCNA2 ALDH1A1 107/4885KMT2A 2613/4885MEN1 2217/4885

“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.