Sugi Predict

Sugi Predict / Compounds / SCHEMBL2997009

SCHEMBL2997009

SCHEMBL2997009

CC(C)CC(=O)Nc1ccc(Cl)c(NC2=NC(=O)C(=Cc3ccc4ncccc4c3)S2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DYRK3 O43781 3/20 0.41
▸ TSHR P16473 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ TP53 P04637 1/20 0.39
▸ RXFP1 Q9HBX9 1/20 0.39
▸ PIK3CD O00329 1/20 0.39
▸ PIM1 P11309 1/20 0.39
▸ CSNK2A2 P19784 1/20 0.39
▸ PIK3CA P42336 1/20 0.39
▸ PIK3CG P48736 1/20 0.39
▸ CLK1 P49759 1/20 0.39
▸ CLK3 P49761 1/20 0.39
▸ CSNK2B P67870 1/20 0.39
▸ CSNK2A1 P68400 1/20 0.39
▸ DYRK1A Q13627 1/20 0.39

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
SCHEMBL2997008 1.00 DYRK3 (0.41) DYRK3TSHRALDH1A1CYP1A2CYP3A4
SCHEMBL2993503 0.94 ALDH1A1 (0.40) DYRK3TSHRALDH1A1CYP1A2CYP3A4
SCHEMBL2993505 0.94 ALDH1A1 (0.40) DYRK3TSHRALDH1A1CYP1A2CYP3A4
SCHEMBL2993651 0.91 TSHR (0.42) DYRK3TSHRALDH1A1CYP1A2CYP3A4
SCHEMBL2993647 0.91 TSHR (0.42) DYRK3TSHRALDH1A1CYP1A2CYP3A4
SCHEMBL2996479 0.90 DYRK3 (0.42) DYRK3ALDH1A1RAB9ANPC1PIK3CD
SCHEMBL4942268 0.90 ALDH1A1 (0.43) DYRK3TSHRALDH1A1CYP1A2CYP3A4
SCHEMBL2996481 0.90 DYRK3 (0.42) DYRK3ALDH1A1RAB9ANPC1PIK3CD
SCHEMBL2996091 0.89 NOTUM (0.43) DYRK3TSHRALDH1A1CYP1A2CYP3A4
SCHEMBL2996093 0.89 NOTUM (0.43) DYRK3TSHRALDH1A1CYP1A2CYP3A4

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-20090203692-A1 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION 2009-08-13 — — US claimed
EP-1885362-A2 NOVEL CHEMICAL COMPOUNDS Smithkline Beecham Corporation (US) 2008-02-13 — — EP claimed
WO-2006127458-A2 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-11-30 — — WO claimed
US-20100184774-A1 METHODS OF TREATMENT SMITHKLINE BEECHAM CORPORATION 2010-07-22 — — US disclosed
EP-2164494-A1 METHODS OF TREATMENT GlaxoSmithKline LLC (US) 2010-03-24 — — EP disclosed
US-20090203692-A1 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION 2009-08-13 — — US disclosed
WO-2008150837-A1 METHODS OF TREATMENT SMITHKLINE BEECHAM CORPORATION (US) 2008-12-11 — — WO disclosed
EP-1885362-A2 NOVEL CHEMICAL COMPOUNDS Smithkline Beecham Corporation (US) 2008-02-13 — — EP disclosed
WO-2006127458-A2 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-11-30 — — 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 (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-20100184774-A1 METHODS OF TREATMENT OPRL1, BRCA1, PKD1 DYRK3 3748/4885TSHR 77/4885ALDH1A1 2461/4885
US-20090203692-A1 NOVEL CHEMICAL COMPOUNDS HIPK3, HIPK1, HIPK4 DYRK3 1471/4885TSHR 4599/4885ALDH1A1 4089/4885

“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.