SCHEMBL4580336

SCHEMBL4580336

COC(=O)C1CCc2cnccc2N1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 1/20 0.44
KMT2A Q03164 1/20 0.38
SMYD3 Q9H7B4 1/20 0.37
NAMPT P43490 5/20 0.37
KDM4E B2RXH2 2/20 0.36
LATS1 O95835 1/20 0.35
ALDH1A1 P00352 1/20 0.34
GLA P06280 1/20 0.34
GAA P10253 1/20 0.34
BACE1 P56817 1/20 0.34
HPGDS O60760 1/20 0.33

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
SCHEMBL12503258 0.89 IGF1R (0.42) IGF1RKMT2ASMYD3NAMPTKDM4E
SCHEMBL13604128 0.87 NAMPT (0.42) IGF1RKMT2ANAMPTKDM4ELATS1
SCHEMBL29781227 0.82 MAPT (0.45) SMYD3KDM4EALDH1A1GAA
SCHEMBL30357995 0.80 SMYD3 (0.56) IGF1RKMT2ASMYD3KDM4EALDH1A1
SCHEMBL8567081 0.80 SMYD3 (0.56) IGF1RKMT2ASMYD3KDM4EALDH1A1
SCHEMBL7433964 0.80 SMYD3 (0.56) IGF1RKMT2ASMYD3KDM4EALDH1A1
SCHEMBL926907 0.80 SMYD3 (0.56) IGF1RKMT2ASMYD3KDM4EALDH1A1
Hydrochloric Acid SCHEMBL5424922 0.78 SMYD3 (0.54) IGF1RKMT2ASMYD3KDM4EALDH1A1
SCHEMBL3893061 0.75 IGF1R (0.46) IGF1RKMT2ASMYD3ALDH1A1
SCHEMBL7335768 0.75 ALDH1A1 (0.51) IGF1RALDH1A1

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 11 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 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
EP-1773834-A2 2, 8-DISUBSTITUTED NAPHTHYRIDINE DERIVATIVES Serenex, Inc. (US) 2007-04-18 EP disclosed
EP-1660497-A1 [ 1,8]NAPHTHYRIDIN-2-ONES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA Warner-Lambert Company LLC (US) 2006-05-31 EP disclosed
WO-2006017672-A2 2, 8-DISUBSTITUTED NAPHTHYRIDINE DERIVATIVES SERENEX INC. (US) 2006-02-16 WO disclosed
US-20060030584-A1 2,8-Disubstituted naphthyridine derivatives SERENEX, INC. 2006-02-09 US disclosed
WO-2005019215-A1 [1,8]NAPHTHYRIDIN-2-ONES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA WARNER-LAMBERT COMPANY LLC (US) 2005-03-03 WO 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 IGF1R 350/4885KMT2A 2613/4885SMYD3 3067/4885
US-20080032991-A1 2, 8-disubstituted Naphthyridine Derivatives CCNA1, FOXM1, CCNA2 IGF1R 350/4885KMT2A 2613/4885SMYD3 3067/4885

“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.