SCHEMBL2999987

SCHEMBL2999987

CC(=O)Nc1ccc(NC2=NC(=O)C(=Cc3ccc4ncccc4c3)S2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.48
MEN1 O00255 7/20 0.48
KMT2A Q03164 7/20 0.48
ALDH1A1 P00352 5/20 0.48
NPC1 O15118 5/20 0.48
RAB9A P51151 4/20 0.48
LMNA P02545 2/20 0.48
KDM4E B2RXH2 1/20 0.48
RECQL P46063 1/20 0.48
PIK3CD O00329 1/20 0.47
PIM1 P11309 1/20 0.47
CSNK2A2 P19784 1/20 0.47
PIK3CA P42336 1/20 0.47
PIK3CG P48736 1/20 0.47
CLK1 P49759 1/20 0.47
CLK3 P49761 1/20 0.47
CSNK2B P67870 1/20 0.47
CSNK2A1 P68400 1/20 0.47
DYRK1A Q13627 1/20 0.47
HASPIN Q8TF76 1/20 0.47

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
SCHEMBL2999979 1.00 MAPT (0.48) MAPTMEN1KMT2AALDH1A1NPC1
SCHEMBL2990443 0.92 CLK1 (0.45) MAPTMEN1KMT2AALDH1A1NPC1
SCHEMBL2990448 0.92 CLK1 (0.45) MAPTMEN1KMT2AALDH1A1NPC1
SCHEMBL2988284 0.88 CISD1 (0.45) MAPTMEN1KMT2AALDH1A1NPC1
SCHEMBL2988279 0.88 CISD1 (0.45) MAPTMEN1KMT2AALDH1A1NPC1
SCHEMBL2991396 0.87 PIK3CD (0.46) MAPTMEN1KMT2AALDH1A1NPC1
SCHEMBL2991399 0.87 PIK3CD (0.46) MAPTMEN1KMT2AALDH1A1NPC1
SCHEMBL2789187 0.86 NPC1 (0.48) MAPTMEN1KMT2AALDH1A1NPC1
SCHEMBL2789183 0.86 NPC1 (0.48) MAPTMEN1KMT2AALDH1A1NPC1
SCHEMBL2995102 0.86 PIK3CD (0.52) MAPTMEN1KMT2AALDH1A1NPC1

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 MAPT 721/4885MEN1 37/4885KMT2A 2272/4885
US-20090203692-A1 NOVEL CHEMICAL COMPOUNDS HIPK3, HIPK1, HIPK4 MAPT 1880/4885MEN1 3889/4885KMT2A 3294/4885

“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.