SCHEMBL969598

SCHEMBL969598

COc1ccc(Cc2nnc(-c3ncc4cccnc4c3O)[nH]2)cc1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.43
PDE10A Q9Y233 4/20 0.41
ALDH1A1 P00352 3/20 0.41
CBFB Q13951 1/20 0.39
MAPT P10636 2/20 0.39
LMNA P02545 2/20 0.39
MAPK1 P28482 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
GAA P10253 1/20 0.39
KDM4E B2RXH2 1/20 0.38
HPGD P15428 1/20 0.38
MDM2 Q00987 2/20 0.38
PDE2A O00408 1/20 0.38
ABCC4 O15439 1/20 0.38
USP2 O75604 1/20 0.38
PDE5A O76074 1/20 0.38
ABCB11 O95342 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 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
SCHEMBL12919885 0.94 CBFB (0.39) POLBPDE10AALDH1A1CBFBMDM2
SCHEMBL968724 0.86 LMNA (0.43) POLBMAPTLMNAPDE4ARAB9A
SCHEMBL12919889 0.83 MEN1 (0.42) ALDH1A1MAPTLMNAGAAKDM4E
SCHEMBL965982 0.82 EGLN1 (0.39) ALDH1A1GAAKDM4ETSHR
SCHEMBL968019 0.81 EGLN1 (0.42) POLBMAPTLMNASMN1; SMN2GAA
SCHEMBL969824 0.81 KDM4E (0.39) SMN1; SMN2KDM4ERAB9A
SCHEMBL966900 0.81 KDM4E (0.34) ALDH1A1KDM4ETSHRPDE4ARAB9A
SCHEMBL967559 0.81 LMNA (0.40) POLBMAPTLMNASMN1; SMN2PDE5A
SCHEMBL966727 0.80 KDM4E (0.38) KDM4ERAB9A
SCHEMBL966035 0.74 EGLN1 (0.42) PDE10AALDH1A1KDM4ERAB9A

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110003794-A1 Naphthyridine Integrase Inhibitors GSK LLC 2011-01-06 US claimed
US-20070142365-A1 Naphthyridine integrase inhibitors GSK LLC 2007-06-21 US claimed
US-20110003794-A1 Naphthyridine Integrase Inhibitors GSK LLC 2011-01-06 US disclosed
US-20110003794-A1 Naphthyridine Integrase Inhibitors GSK LLC 2011-01-06 US disclosed
US-7812016-B2 Naphthyridine integrase inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2010-10-12 US disclosed
US-7812016-B2 Naphthyridine integrase inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2010-10-12 US disclosed
US-7812016-B2 Naphthyridine integrase inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2010-10-12 US disclosed
EP-1622615-A4 NAPHTHYRIDINE INTEGRASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2009-02-18 EP disclosed
US-20070142365-A1 Naphthyridine integrase inhibitors GSK LLC 2007-06-21 US disclosed
US-20070142365-A1 Naphthyridine integrase inhibitors GSK LLC 2007-06-21 US disclosed
US-20070142365-A1 Naphthyridine integrase inhibitors GSK LLC 2007-06-21 US disclosed
EP-1622615-A2 NAPHTHYRIDINE INTEGRASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2006-02-08 EP disclosed
WO-2004101512-A2 NAPHTHYRIDINE INTEGRASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2004-11-25 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-20110003794-A1 Naphthyridine Integrase Inhibitors PCNA, SAMHD1, NTPCR POLB 24/4885PDE10A 4279/4885ALDH1A1 2955/4885
US-20070142365-A1 Naphthyridine integrase inhibitors PCNA, SAMHD1, NTPCR POLB 24/4885PDE10A 4279/4885ALDH1A1 2955/4885

“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.