Sugi Predict

Sugi Predict / Compounds / SCHEMBL970000

SCHEMBL970000

SCHEMBL970000

O=C1CN(c2nc(-c3nnc(Nc4ccccc4)o3)c(O)c3ncccc23)CCN1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ GSK3B P49841 4/20 0.35
▸ GRIA1 P42261 2/20 0.35
▸ BCHE P06276 1/20 0.35
▸ ACHE P22303 1/20 0.35
▸ ELANE P08246 1/20 0.34
▸ ATR Q13535 2/20 0.34
▸ PRMT5 O14744 1/20 0.33
▸ SCN9A Q15858 1/20 0.33
▸ PRKCH P24723 1/20 0.33
▸ PRKCE Q02156 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ DGAT1 O75907 2/20 0.33
▸ MAPT P10636 1/20 0.33

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
SCHEMBL968230 0.83 GRIA1 (0.38) RAB9AGRIA1ELANEPRMT5SCN9A
SCHEMBL967173 0.79 ATR (0.39) KDM4ERAB9AACHEATRMEN1
SCHEMBL967824 0.78 GRIA1 (0.42) KDM4ERAB9AGRIA1SCN9ANPC1
SCHEMBL967981 0.71 PRMT5 (0.37) RAB9AGRIA1PRMT5SCN9ANPC1
SCHEMBL966911 0.69 GRIA1 (0.42) KDM4ERAB9AGRIA1PRMT5SCN9A
SCHEMBL966823 0.67 CALCA (0.39) KDM4ERAB9ANPC1SMN1; SMN2
SCHEMBL971586 0.66 GRIA1 (0.44) KDM4EGRIA1ACHEDGAT1
SCHEMBL965304 0.66 CALCA (0.41) KDM4ERAB9ANPC1TP53KMT2A
SCHEMBL5134443 0.66 RAB9A (0.64) KDM4ERAB9AGSK3BBCHEACHE
SCHEMBL967446 0.66 APLNR (0.38) RAB9AGRIA1TP53SMN1; 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 9 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-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 KDM4E 2029/4885RAB9A 2668/4885GSK3B 779/4885
US-20070142365-A1 Naphthyridine integrase inhibitors PCNA, SAMHD1, NTPCR KDM4E 2029/4885RAB9A 2668/4885GSK3B 779/4885

“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.