Sugi Predict

Sugi Predict / Compounds / SCHEMBL968246

SCHEMBL968246

SCHEMBL968246

O=S1(=O)CCCCN1c1nc(-c2nnc(Cc3cccc(F)c3)[nH]2)c(O)c2ncccc12

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CALCA P06881 9/20 0.63
▸ CDK1 P06493 1/20 0.38
▸ CDK4 P11802 1/20 0.38
▸ CDK2 P24941 1/20 0.38
▸ COMT P21964 2/20 0.35
▸ ADAMTS5 Q9UNA0 1/20 0.32
▸ HCAR2 Q8TDS4 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ RPS6KB1 P23443 1/20 0.32
▸ PARP1 P09874 1/20 0.31
▸ GRIN1 Q05586 1/20 0.31
▸ GRIN2B Q13224 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ MITF O75030 1/20 0.31
▸ L3MBTL1 Q9Y468 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
SCHEMBL965626 0.94 CALCA (0.62) CALCACDK1CDK4CDK2COMT
SCHEMBL968247 0.91 CALCA (0.52) CALCACDK1CDK4CDK2COMT
SCHEMBL968040 0.91 CALCA (0.62) CALCACDK1CDK4CDK2COMT
SCHEMBL966048 0.91 CALCA (0.53) CALCACOMTPARP1
SCHEMBL965773 0.90 CALCA (0.60) CALCACDK1CDK4CDK2COMT
SCHEMBL967431 0.89 CALCA (0.49) CALCAHCAR2POLB
SCHEMBL966989 0.88 CALCA (0.62) CALCACOMTKDM4EMITFL3MBTL1
SCHEMBL967391 0.88 CALCA (0.53) CALCACDK1CDK4CDK2COMT
SCHEMBL967705 0.86 CALCA (0.51) CALCACDK1CDK4CDK2COMT
SCHEMBL965741 0.86 CALCA (0.49) CALCACDK1CDK4CDK2COMT

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 10 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-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
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

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 4461/4885CDK1 737/4885CDK4 325/4885
US-20070142365-A1 Naphthyridine integrase inhibitors PCNA, SAMHD1, NTPCR CALCA 4461/4885CDK1 737/4885CDK4 325/4885

“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.