Sugi Predict

Sugi Predict / Compounds / SCHEMBL966049

SCHEMBL966049

SCHEMBL966049

Oc1c(-c2nnc(Cc3ccc(F)c(F)c3)[nH]2)nc(N2CCCCS2(O)O)c2cccnc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CALCA P06881 7/20 0.43
▸ COMT P21964 2/20 0.34
▸ PARP1 P09874 2/20 0.34
▸ NPC1 O15118 2/20 0.31
▸ METAP2 P50579 1/20 0.31
▸ KDM4E B2RXH2 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
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ NPSR1 Q6W5P4 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
SCHEMBL966048 0.91 CALCA (0.53) CALCACOMTPARP1
SCHEMBL968042 0.91 CALCA (0.50) CALCACOMTPARP1NPC1METAP2
SCHEMBL968247 0.91 CALCA (0.52) CALCACOMTNPC1METAP2KDM4E
SCHEMBL965627 0.90 CALCA (0.51) CALCACOMTNPC1METAP2KDM4E
SCHEMBL967706 0.90 CALCA (0.41) CALCACOMTPARP1NPC1METAP2
SCHEMBL965779 0.88 CALCA (0.48) CALCACOMTNPC1METAP2KDM4E
SCHEMBL967390 0.88 CALCA (0.42) CALCACOMTNPC1METAP2KDM4E
SCHEMBL966987 0.86 CALCA (0.50) CALCANPC1METAP2KDM4ELMNA
SCHEMBL965743 0.86 CALCA (0.40) CALCACOMTNPC1METAP2KDM4E
SCHEMBL967433 0.85 CALCA (0.40) CALCAKDM4ELMNATP53ALOX15

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 4461/4885COMT 1043/4885PARP1 157/4885
US-20070142365-A1 Naphthyridine integrase inhibitors PCNA, SAMHD1, NTPCR CALCA 4461/4885COMT 1043/4885PARP1 157/4885

“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.