Sugi Predict

Sugi Predict / Compounds / SCHEMBL965743

SCHEMBL965743

SCHEMBL965743

Oc1c(-c2nnc(Cc3cccc(F)c3F)[nH]2)nc(N2CCCCS2(O)O)c2cccnc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CALCA P06881 6/20 0.40
▸ REN P00797 1/20 0.32
▸ KDM4E B2RXH2 4/20 0.32
▸ L3MBTL1 Q9Y468 2/20 0.32
▸ COMT P21964 1/20 0.32
▸ GRIN2B Q13224 1/20 0.31
▸ NPC1 O15118 2/20 0.31
▸ METAP2 P50579 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ HSP90AA1 P07900 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ ALOX15 P16050 1/20 0.31
▸ ALOX12 P18054 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ MPI P34949 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ ATM Q13315 1/20 0.31

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
SCHEMBL965741 0.91 CALCA (0.49) CALCARENKDM4EL3MBTL1COMT
SCHEMBL968042 0.86 CALCA (0.50) CALCAKDM4EL3MBTL1COMTNPC1
SCHEMBL966049 0.86 CALCA (0.43) CALCAKDM4EL3MBTL1COMTNPC1
SCHEMBL968247 0.86 CALCA (0.52) CALCAKDM4EL3MBTL1COMTGRIN2B
SCHEMBL965627 0.85 CALCA (0.51) CALCAKDM4EL3MBTL1COMTNPC1
SCHEMBL965779 0.85 CALCA (0.48) CALCAKDM4EL3MBTL1COMTGRIN2B
SCHEMBL967390 0.84 CALCA (0.42) CALCAKDM4EL3MBTL1COMTNPC1
SCHEMBL967789 0.84 CALCA (0.42) CALCAKDM4EL3MBTL1NPC1METAP2
SCHEMBL967706 0.83 CALCA (0.41) CALCAKDM4EL3MBTL1COMTNPC1
SCHEMBL966987 0.83 CALCA (0.50) CALCAKDM4EL3MBTL1NPC1METAP2

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 4461/4885REN 2412/4885KDM4E 2029/4885
US-20070142365-A1 Naphthyridine integrase inhibitors PCNA, SAMHD1, NTPCR CALCA 4461/4885REN 2412/4885KDM4E 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.