SCHEMBL4581650

SCHEMBL4581650

COc1ccc(-c2cncc3ccc(C(=O)NC4CCN(Cc5ccccc5)CC4)nc23)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 3/20 0.56
SIGMAR1 Q99720 3/20 0.55
BCHE P06276 1/20 0.55
ACHE P22303 1/20 0.55
MCHR1 Q99705 3/20 0.55
PRKAA2 P54646 4/20 0.53
PRKAB2 O43741 3/20 0.53
PRKAG1 P54619 3/20 0.53
PRKAA1 Q13131 3/20 0.53
PRKAG3 Q9UGI9 3/20 0.53
PRKAG2 Q9UGJ0 3/20 0.53
PRKAB1 Q9Y478 3/20 0.53
TDP1 Q9NUW8 1/20 0.52
HSP90AA1 P07900 1/20 0.51
HSP90AB1 P08238 1/20 0.51
PDK1 Q15118 1/20 0.51
ALDH1A1 P00352 2/20 0.51
KDM4E B2RXH2 1/20 0.51
HPGD P15428 1/20 0.51
HSD17B10 Q99714 1/20 0.51

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
SCHEMBL4582871 0.91 PRKAA2 (0.60) DRD4SIGMAR1PRKAA2PRKAB2PRKAG1
SCHEMBL4580918 0.84 PRKAA2 (0.54) DRD4SIGMAR1PRKAA2PRKAB2PRKAG1
SCHEMBL4578942 0.83 BCHE (0.54) BCHEACHEPRKAA2PRKAB2PRKAG1
SCHEMBL9695733 0.80 CNR1 (0.67) DRD4SIGMAR1BCHEACHEMCHR1
SCHEMBL15741764 0.79 KMT2A (0.60) ALDH1A1KMT2A
SCHEMBL517857 0.79 PRKAA2 (0.80) DRD4SIGMAR1BCHEACHEMCHR1
SCHEMBL4581243 0.79 PRKAA2 (0.52) DRD4SIGMAR1MCHR1PRKAA2PRKAB2
SCHEMBL15747584 0.79 RAB9A (0.51) ALDH1A1KDM4EHPGDHSD17B10KMT2A
SCHEMBL15743101 0.78 MEN1 (0.53) ALDH1A1KMT2A
SCHEMBL9548042 0.75 ACHE (0.62) DRD4SIGMAR1BCHEACHEMCHR1

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 5 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

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 DRD4 982/4885SIGMAR1 1393/4885BCHE 4342/4885
US-20080032991-A1 2, 8-disubstituted Naphthyridine Derivatives CCNA1, FOXM1, CCNA2 DRD4 982/4885SIGMAR1 1393/4885BCHE 4342/4885

“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.