Sugi Predict

Sugi Predict / Compounds / SCHEMBL3135735

SCHEMBL3135735

SCHEMBL3135735

Nc1nc(-c2ccc(C(=O)NC3CC3)cc2)cs1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 1/20 0.74
▸ ALDH1A1 P00352 4/20 0.60
▸ KDM4E B2RXH2 3/20 0.60
▸ RAB9A P51151 5/20 0.54
▸ NPC1 O15118 4/20 0.54
▸ MEN1 O00255 3/20 0.54
▸ KMT2A Q03164 3/20 0.54
▸ SMN1; SMN2 Q16637 3/20 0.54
▸ SMYD3 Q9H7B4 3/20 0.51
▸ ATR Q13535 2/20 0.51
▸ LTA4H P09960 1/20 0.50
▸ MKNK1 Q9BUB5 1/20 0.50
▸ MKNK2 Q9HBH9 1/20 0.50
▸ HDAC4 P56524 1/20 0.47
▸ LMNA P02545 2/20 0.46
▸ MAPT P10636 2/20 0.46
▸ NFKB1 P19838 1/20 0.46
▸ NFKB2 Q00653 1/20 0.46
▸ RELA Q04206 1/20 0.46
▸ ALOX5 P09917 1/20 0.46

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
SCHEMBL3826132 0.95 MAPK14 (0.68) MAPK14ALDH1A1KDM4ERAB9ANPC1
Trifluoroacetic Acid SCHEMBL3143042 0.92 MAPK14 (0.65) MAPK14ALDH1A1KDM4ERAB9ANPC1
SCHEMBL5123299 0.86 MAPK14 (1.00) MAPK14
SCHEMBL3135726 0.85 MAPK14 (0.57) MAPK14ALDH1A1KDM4ERAB9ANPC1
SCHEMBL3140672 0.83 MAPK14 (0.58) MAPK14ALDH1A1KDM4ERAB9ANPC1
SCHEMBL3831800 0.83 MAPK14 (0.57) MAPK14ALDH1A1KDM4ERAB9ANPC1
SCHEMBL26886294 0.76 SCD (0.58) RAB9ANPC1SMN1; SMN2LMNAMAPT
SCHEMBL19899748 0.76 MAPK14 (0.49) MAPK14ALDH1A1KDM4ERAB9ANPC1
SCHEMBL3826303 0.76 ALDH1A1 (0.61) MAPK14ALDH1A1KDM4ERAB9ANPC1
SCHEMBL13626237 0.76 ALDH1A1 (0.61) MAPK14ALDH1A1KDM4ERAB9ANPC1

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010027564-A2 AMIDO ANTI-VIRAL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE GLAXOSMITHKLINE LLC (US) 2010-03-11 — — WO claimed
US-20100061960-A1 Amido Anti-Viral Compounds, Compositions, And Methods Of Use SCHMITZ FRANZ ULRICH 2010-03-11 — — US claimed
US-7595398-B2 N-(5-membered aromatic ring)-amido anti-viral compounds SMITHKLINE BEECHAM CORPORATION (US) 2009-09-29 — — US claimed
WO-2010027564-A2 AMIDO ANTI-VIRAL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE GLAXOSMITHKLINE LLC (US) 2010-03-11 — — WO disclosed
WO-2010027564-A2 AMIDO ANTI-VIRAL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE GLAXOSMITHKLINE LLC (US) 2010-03-11 — — WO disclosed
US-20100061960-A1 Amido Anti-Viral Compounds, Compositions, And Methods Of Use SCHMITZ FRANZ ULRICH 2010-03-11 — — US disclosed
US-20100061960-A1 Amido Anti-Viral Compounds, Compositions, And Methods Of Use SCHMITZ FRANZ ULRICH 2010-03-11 — — US disclosed
US-20100061960-A1 Amido Anti-Viral Compounds, Compositions, And Methods Of Use SCHMITZ FRANZ ULRICH 2010-03-11 — — US disclosed
US-20100055071-A1 Anti-Viral Compounds SMITHKLINE BEECHAM CORPORATION 2010-03-04 — — US disclosed
US-20100004441-A1 N-(5-Membered Aromatic Ring)-Amido Anti-Viral Compounds SCHMITZ FRANZ ULRICH 2010-01-07 — — US disclosed
WO-2009143361-A1 AMIDO ANTI-VIRAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2009-11-26 — — WO disclosed
EP-2097405-A2 ANTI-VIRAL COMPOUNDS Smithkline Beecham Corporation (US) 2009-09-09 — — EP disclosed
CN-101331125-A N-(5-membered aromatic ring)-amido anti-viral compounds GENELABS TECH INC (US) 2008-12-24 — — CN disclosed
EP-1971597-A2 N-(5-MEMBERED HETEROAROMATIC RING)-AMIDO ANTI-VIRAL COMPOUNDS GENELABS TECHNOLOGIES, INC. (US) 2008-09-24 — — EP disclosed
US-20080193411-A1 Anti-viral Compounds GENELABS TECHNOLOGIES, INC. 2008-08-14 — — US disclosed
US-20080181866-A1 Amido Anti-viral Compounds GENELABS TECHNOLOGIES, INC. 2008-07-31 — — US disclosed
WO-2008070447-A2 ANTI-VIRAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2008-06-12 — — WO disclosed
WO-2008064218-A2 AMIDO ANTI-VIRAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2008-05-29 — — WO disclosed
US-20070265265-A1 N-(5-MEMBERED AROMATIC RING)-AMIDO ANTI-VIRAL COMPOUNDS GENELABS TECHNOLOGIES, INC. 2007-11-15 — — US disclosed
WO-2007070600-A2 N-(5-MEMBERED HETEROAROMATIC RING)-AMIDO ANTI-VIRAL COMPOUNDS GENELABS TECHNOLOGIES, INC. (US) 2007-06-21 — — WO 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 (6 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-20080193411-A1 Anti-viral Compounds ZC3HAV1, ZC3HAV1L, SARS1 MAPK14 3128/4885ALDH1A1 1766/4885KDM4E 3046/4885
US-20100061960-A1 Amido Anti-Viral Compounds, Compositions, And Methods Of Use HAVCR2, OAT, MAVS MAPK14 2700/4885ALDH1A1 4853/4885KDM4E 3986/4885
US-20100055071-A1 Anti-Viral Compounds ZC3HAV1, ZC3HAV1L, SARS1 MAPK14 3128/4885ALDH1A1 1766/4885KDM4E 3046/4885
US-20080181866-A1 Amido Anti-viral Compounds ZC3HAV1, U2SURP, ZC3HAV1L MAPK14 2867/4885ALDH1A1 4630/4885KDM4E 2989/4885
US-20100004441-A1 N-(5-Membered Aromatic Ring)-Amido Anti-Viral Compounds ZC3HAV1, ZC3HAV1L, HAVCR2 MAPK14 4045/4885ALDH1A1 4423/4885KDM4E 838/4885
US-20070265265-A1 N-(5-MEMBERED AROMATIC RING)-AMIDO ANTI-VIRAL COMPOUNDS ZC3HAV1, ZC3HAV1L, HAVCR2 MAPK14 4045/4885ALDH1A1 4423/4885KDM4E 838/4885

“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.