SCHEMBL968247

SCHEMBL968247

Oc1c(-c2nnc(Cc3cccc(F)c3)[nH]2)nc(N2CCCCS2(O)O)c2cccnc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CALCA P06881 7/20 0.52
COMT P21964 1/20 0.34
GRIN1 Q05586 1/20 0.31
GRIN2B Q13224 1/20 0.31
KDM4E B2RXH2 3/20 0.31
L3MBTL1 Q9Y468 3/20 0.31
MITF O75030 2/20 0.31
ADAMTS5 Q9UNA0 1/20 0.31
LMNA P02545 2/20 0.31
ALOX15 P16050 2/20 0.31
ALOX12 P18054 2/20 0.31
HTT P42858 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
NPSR1 Q6W5P4 2/20 0.31
HCAR2 Q8TDS4 1/20 0.31
NPC1 O15118 2/20 0.31
GRIA1 P42261 1/20 0.31
CDK1 P06493 1/20 0.31
CDK4 P11802 1/20 0.31
CDK2 P24941 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
SCHEMBL965627 0.94 CALCA (0.51) CALCACOMTKDM4EL3MBTL1MITF
SCHEMBL968246 0.91 CALCA (0.63) CALCACOMTGRIN1GRIN2BKDM4E
SCHEMBL968042 0.91 CALCA (0.50) CALCACOMTKDM4EL3MBTL1LMNA
SCHEMBL966049 0.91 CALCA (0.43) CALCACOMTKDM4EL3MBTL1LMNA
SCHEMBL965779 0.90 CALCA (0.48) CALCACOMTGRIN2BKDM4EL3MBTL1
SCHEMBL967433 0.88 CALCA (0.40) CALCAKDM4EL3MBTL1LMNAALOX15
SCHEMBL966987 0.88 CALCA (0.50) CALCAKDM4EL3MBTL1MITFLMNA
SCHEMBL967390 0.88 CALCA (0.42) CALCACOMTKDM4EL3MBTL1MITF
SCHEMBL967706 0.86 CALCA (0.41) CALCACOMTKDM4EL3MBTL1LMNA
SCHEMBL965743 0.86 CALCA (0.40) CALCACOMTGRIN2BKDM4EL3MBTL1

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 4 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
US-20070142365-A1 Naphthyridine integrase inhibitors GSK LLC 2007-06-21 US 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 1043/4885GRIN1 4072/4885
US-20070142365-A1 Naphthyridine integrase inhibitors PCNA, SAMHD1, NTPCR CALCA 4461/4885COMT 1043/4885GRIN1 4072/4885

“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.