Sugi Predict

Sugi Predict / Compounds / SCHEMBL968016

SCHEMBL968016

SCHEMBL968016

CN(C)C(=O)CN1CCN(c2nc(-c3nnc(Cc4ccc(F)cc4)o3)c(O)c3ncccc23)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CALCA P06881 1/20 0.39
▸ LMNA P02545 3/20 0.38
▸ TP53 P04637 1/20 0.38
▸ MAPT P10636 3/20 0.37
▸ THRB P10828 1/20 0.37
▸ KDM4E B2RXH2 4/20 0.37
▸ RAB9A P51151 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
▸ HSP90AA1 P07900 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ APP P05067 1/20 0.35
▸ MAP4K4 O95819 1/20 0.34
▸ AKT1 P31749 1/20 0.34
▸ CCNT1 O60563 1/20 0.34
▸ CDK9 P50750 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
SCHEMBL965866 0.93 KDM4E (0.39) CALCALMNATP53MAPTKDM4E
SCHEMBL965916 0.89 CALCA (0.37) CALCALMNATP53MAPTTHRB
SCHEMBL968026 0.85 AKT1 (0.37) CALCALMNAMAPTKDM4ERAB9A
SCHEMBL969656 0.84 CALCA (0.39) CALCALMNATP53MAPTKDM4E
SCHEMBL967547 0.83 AURKA (0.39) LMNAMAPTKDM4ERAB9ASMN1; SMN2
SCHEMBL968365 0.81 TP53 (0.47) CALCALMNATP53SMN1; SMN2ALDH1A1
SCHEMBL967173 0.81 ATR (0.39) LMNATP53THRBKDM4ERAB9A
SCHEMBL966316 0.80 GBA1 (0.45) LMNAMAPTALDH1A1
SCHEMBL967824 0.80 GRIA1 (0.42) CALCALMNATP53MAPTKDM4E
SCHEMBL966266 0.80 ALDH1A1 (0.45) CALCAMAPTKDM4EHTTSMN1; SMN2

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-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 4461/4885LMNA 2352/4885TP53 1946/4885
US-20070142365-A1 Naphthyridine integrase inhibitors PCNA, SAMHD1, NTPCR CALCA 4461/4885LMNA 2352/4885TP53 1946/4885

“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.