Sugi Predict

Sugi Predict / Compounds / SCHEMBL968026

SCHEMBL968026

SCHEMBL968026

CN(C)C(=O)CN1CCN(c2nc(-c3nnc(Cc4ccc(F)cc4)[nH]3)c(O)c3ncccc23)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKT1 P31749 1/20 0.37
▸ CALCA P06881 1/20 0.37
▸ KDM4E B2RXH2 3/20 0.37
▸ HTT P42858 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ TSHR P16473 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ HSP90AA1 P07900 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ MAP4K4 O95819 1/20 0.36
▸ CDK9 P50750 5/20 0.36
▸ CCNT1 O60563 4/20 0.36
▸ APP P05067 1/20 0.35
▸ PIK3CD O00329 1/20 0.35
▸ TLR8 Q9NR97 2/20 0.35

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
SCHEMBL968048 0.88 CFTR (0.41) CALCAKDM4EHTTSMN1; SMN2LMNA
SCHEMBL967041 0.87 KDM4E (0.41) CALCAKDM4EHTTSMN1; SMN2ALDH1A1
SCHEMBL966030 0.86 GRIA1 (0.41) AKT1CALCAKDM4EHTTSMN1; SMN2
SCHEMBL966895 0.86 CALCA (0.40) CALCAKDM4EHTTSMN1; SMN2ALDH1A1
SCHEMBL967782 0.86 ALDH1A1 (0.41) CALCAKDM4EHTTSMN1; SMN2ALDH1A1
SCHEMBL968016 0.85 CALCA (0.39) AKT1CALCAKDM4EHTTSMN1; SMN2
SCHEMBL966358 0.84 CALCA (0.42) CALCAKDM4EHTTSMN1; SMN2ALDH1A1
SCHEMBL966862 0.84 HTR6 (0.39) CALCAKDM4EHTTSMN1; SMN2LMNA
SCHEMBL966016 0.83 SMO (0.43) CALCAKDM4EHTTSMN1; SMN2ALDH1A1
SCHEMBL966110 0.83 CALCA (0.44) CALCAKDM4EHTTSMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 AKT1 1741/4885CALCA 4461/4885KDM4E 2029/4885
US-20070142365-A1 Naphthyridine integrase inhibitors PCNA, SAMHD1, NTPCR AKT1 1741/4885CALCA 4461/4885KDM4E 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.