Sugi Predict

Sugi Predict / Compounds / SCHEMBL968048

SCHEMBL968048

SCHEMBL968048

CN(C)CCN1CCN(c2nc(-c3nnc(Cc4ccc(F)cc4)[nH]3)c(O)c3ncccc23)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CFTR P13569 5/20 0.41
▸ SLC40A1 Q9NP59 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ HSP90AA1 P07900 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ CYP3A4 P08684 2/20 0.35
▸ ABCC1 P33527 1/20 0.35
▸ CALCA P06881 1/20 0.35
▸ HTR1A P08908 3/20 0.34
▸ SIRT6 Q8N6T7 1/20 0.34
▸ HTR2A P28223 2/20 0.34
▸ DRD2 P14416 1/20 0.34
▸ DRD1 P21728 1/20 0.34

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
SCHEMBL966895 0.89 CALCA (0.40) KDM4ELMNAHSP90AA1MAPTHTT
SCHEMBL968026 0.88 AKT1 (0.37) KDM4ELMNAHSP90AA1MAPTHTT
SCHEMBL967164 0.86 HTR1A (0.41) KDM4ELMNAHSP90AA1MAPTHTT
SCHEMBL966358 0.86 CALCA (0.42) KDM4ELMNAHSP90AA1MAPTHTT
SCHEMBL966862 0.85 HTR6 (0.39) KDM4ELMNAHSP90AA1MAPTHTT
SCHEMBL966030 0.85 GRIA1 (0.41) KDM4ELMNAHSP90AA1MAPTHTT
SCHEMBL966016 0.84 SMO (0.43) KDM4ELMNAMAPTHTTRAB9A
SCHEMBL966710 0.84 TP53 (0.39) KDM4ELMNAHSP90AA1MAPTHTT
SCHEMBL967413 0.84 CALCA (0.38) KDM4ELMNAHSP90AA1MAPTHTT
SCHEMBL967875 0.83 CALCA (0.37) KDM4ELMNAHSP90AA1MAPTHTT

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 CFTR 3881/4885SLC40A1 3641/4885KDM4E 2029/4885
US-20070142365-A1 Naphthyridine integrase inhibitors PCNA, SAMHD1, NTPCR CFTR 3881/4885SLC40A1 3641/4885KDM4E 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.