SCHEMBL4580810

SCHEMBL4580810

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.42
HPGD P15428 7/20 0.42
TDP1 Q9NUW8 4/20 0.39
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
MAPT P10636 4/20 0.39
ACKR3 P25106 1/20 0.39
RAB9A P51151 5/20 0.38
KDM4E B2RXH2 4/20 0.37
HTT P42858 3/20 0.37
POLB P06746 3/20 0.37
CYP1A2 P05177 2/20 0.37
GLA P06280 2/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 2/20 0.37
PSMD14 O00487 1/20 0.37
GAA P10253 1/20 0.37
ALOX12 P18054 1/20 0.37
RECQL P46063 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
SCHEMBL4581883 0.92 AKT3 (0.44) ALDH1A1HPGDTDP1MEN1KMT2A
SCHEMBL4579596 0.85 ALDH1A1 (0.46) ALDH1A1HPGDTDP1MEN1KMT2A
SCHEMBL4580591 0.84 ACKR3 (0.43) ALDH1A1HPGDMEN1KMT2AMAPT
SCHEMBL4578262 0.82 LMNA (0.38) HPGDMEN1KMT2AMAPTACKR3
SCHEMBL14266822 0.79 AKT3 (0.48) HPGDMAPTACKR3RAB9AKDM4E
SCHEMBL14286997 0.78 ALDH1A1 (0.44) ALDH1A1HPGDTDP1MEN1KMT2A
SCHEMBL14266823 0.77 ALDH1A1 (0.59) ALDH1A1HPGDTDP1MEN1KMT2A
SCHEMBL4581316 0.75 AKT3 (0.49) ALDH1A1HPGDMAPTACKR3RAB9A
SCHEMBL14287325 0.75 AKT3 (0.41) ALDH1A1HPGDACKR3KDM4EGAA
SCHEMBL4580728 0.73 AKT3 (0.46) ALDH1A1HPGDMAPTACKR3RAB9A

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 4 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

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 107/4885HPGD 808/4885TDP1 1968/4885
US-20080032991-A1 2, 8-disubstituted Naphthyridine Derivatives CCNA1, FOXM1, CCNA2 ALDH1A1 107/4885HPGD 808/4885TDP1 1968/4885

“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.