Sugi Predict

Sugi Predict / Compounds / SCHEMBL965779

SCHEMBL965779

SCHEMBL965779

Oc1c(-c2nnc(Cc3ccccc3)[nH]2)nc(N2CCCCS2(O)O)c2cccnc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CALCA P06881 7/20 0.48
▸ GRIN2B Q13224 1/20 0.36
▸ KDM4E B2RXH2 5/20 0.35
▸ L3MBTL1 Q9Y468 4/20 0.35
▸ MITF O75030 2/20 0.35
▸ PAX8 Q06710 1/20 0.35
▸ ALOX15 P16050 5/20 0.35
▸ SMN1; SMN2 Q16637 4/20 0.35
▸ ALOX12 P18054 3/20 0.35
▸ NPSR1 Q6W5P4 3/20 0.35
▸ LMNA P02545 2/20 0.35
▸ HTT P42858 2/20 0.35
▸ HTR6 P50406 1/20 0.34
▸ TP53 P04637 3/20 0.33
▸ NFKB1 P19838 2/20 0.33
▸ NFKB2 Q00653 2/20 0.33
▸ RELA Q04206 2/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ KMT2A Q03164 2/20 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
SCHEMBL967390 0.94 CALCA (0.42) CALCAKDM4EL3MBTL1MITFALOX15
SCHEMBL966987 0.92 CALCA (0.50) CALCAKDM4EL3MBTL1MITFALOX15
SCHEMBL967706 0.92 CALCA (0.41) CALCAKDM4EL3MBTL1ALOX15SMN1; SMN2
SCHEMBL968042 0.92 CALCA (0.50) CALCAKDM4EL3MBTL1SMN1; SMN2NPSR1
SCHEMBL966272 0.92 CALCA (0.47) CALCAKDM4EL3MBTL1MITFALOX15
SCHEMBL967789 0.90 CALCA (0.42) CALCAKDM4EL3MBTL1MITFALOX15
SCHEMBL965773 0.90 CALCA (0.60) CALCAGRIN2BKDM4EL3MBTL1MITF
SCHEMBL968247 0.90 CALCA (0.52) CALCAGRIN2BKDM4EL3MBTL1MITF
SCHEMBL965627 0.90 CALCA (0.51) CALCAKDM4EL3MBTL1MITFALOX15
SCHEMBL966049 0.88 CALCA (0.43) CALCAKDM4EL3MBTL1ALOX15SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
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 CALCA 4461/4885GRIN2B 4530/4885KDM4E 2029/4885
US-20070142365-A1 Naphthyridine integrase inhibitors PCNA, SAMHD1, NTPCR CALCA 4461/4885GRIN2B 4530/4885KDM4E 2029/4885

“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.