Sugi Predict

Sugi Predict / Compounds / SCHEMBL4581883

SCHEMBL4581883

SCHEMBL4581883

CN(C)CCNC(=O)c1ccc(-c2cncc3ccc(C(=O)NCc4ccco4)nc23)s1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKT3 Q9Y243 1/20 0.44
▸ ALDH1A1 P00352 7/20 0.43
▸ HPGD P15428 6/20 0.43
▸ KMT2A Q03164 4/20 0.41
▸ TDP1 Q9NUW8 3/20 0.41
▸ MEN1 O00255 3/20 0.41
▸ MAPT P10636 3/20 0.41
▸ MAPK1 P28482 2/20 0.39
▸ HTT P42858 2/20 0.38
▸ HSD17B10 Q99714 2/20 0.38
▸ TSHR P16473 1/20 0.38
▸ RAB9A P51151 5/20 0.38
▸ NPC1 O15118 4/20 0.38
▸ PKM P14618 2/20 0.38
▸ SCN9A Q15858 1/20 0.38
▸ SMN1; SMN2 Q16637 5/20 0.38
▸ POLB P06746 2/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ GLA P06280 1/20 0.38

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
SCHEMBL4580810 0.92 ALDH1A1 (0.42) ALDH1A1HPGDKMT2ATDP1MEN1
SCHEMBL4579596 0.86 ALDH1A1 (0.46) ALDH1A1HPGDKMT2ATDP1MEN1
SCHEMBL14266822 0.85 AKT3 (0.48) AKT3HPGDMAPTMAPK1RAB9A
SCHEMBL4581316 0.83 AKT3 (0.49) AKT3ALDH1A1HPGDMAPTMAPK1
SCHEMBL14287325 0.82 AKT3 (0.41) AKT3ALDH1A1HPGDMAPK1KDM4E
SCHEMBL4580728 0.81 AKT3 (0.46) AKT3ALDH1A1HPGDMAPTMAPK1
SCHEMBL14286997 0.79 ALDH1A1 (0.44) ALDH1A1HPGDKMT2ATDP1MEN1
SCHEMBL14266823 0.78 ALDH1A1 (0.59) ALDH1A1HPGDKMT2ATDP1MEN1
SCHEMBL4580591 0.75 ACKR3 (0.43) AKT3ALDH1A1HPGDKMT2AMEN1
SCHEMBL5317484 0.73 ALDH1A1 (0.50) ALDH1A1HPGDKMT2ATDP1MEN1

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 8 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
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-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 AKT3 2231/4885ALDH1A1 107/4885HPGD 808/4885
US-20080032991-A1 2, 8-disubstituted Naphthyridine Derivatives CCNA1, FOXM1, CCNA2 AKT3 2231/4885ALDH1A1 107/4885HPGD 808/4885

“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.