SCHEMBL2993549

SCHEMBL2993549

O=C1N=C(Nc2c(Cl)cccc2Cl)SC1=Cc1ccc2nccc(N3CCOCC3)c2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ALOX5 P09917 1/20 0.37
PIK3CD O00329 2/20 0.37
PIK3CA P42336 2/20 0.37
PIK3CB P42338 2/20 0.37
MTOR P42345 2/20 0.37
PIK3CG P48736 2/20 0.37
PRKDC P78527 1/20 0.37
PIK3C3 Q8NEB9 1/20 0.37
HTR6 P50406 3/20 0.37
ENPP2 Q13822 1/20 0.36
CLK1 P49759 2/20 0.36
CLK2 P49760 2/20 0.36
DYRK1A Q13627 2/20 0.36
DYRK3 O43781 2/20 0.36

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
SCHEMBL2993546 1.00 MEN1 (0.40) MEN1KMT2ALMNAHTTPOLB
SCHEMBL2995682 0.92 KMT2A (0.41) MEN1KMT2AHTTPIK3CDPIK3CA
SCHEMBL2995679 0.92 KMT2A (0.41) MEN1KMT2AHTTPIK3CDPIK3CA
SCHEMBL4585273 0.92 KMT2A (0.41) MEN1KMT2AHTTPIK3CDPIK3CA
SCHEMBL4586474 0.91 KMT2A (0.41) MEN1KMT2AHTTALOX5PIK3CD
SCHEMBL4586479 0.91 KMT2A (0.41) MEN1KMT2AHTTALOX5PIK3CD
SCHEMBL2996092 0.90 ENPP2 (0.48) PIK3CDPIK3CAPIK3CBMTORPIK3CG
SCHEMBL4587489 0.90 HTR6 (0.47) PIK3CDPIK3CAPIK3CBMTORPIK3CG
SCHEMBL2993532 0.90 HTR6 (0.47) PIK3CDPIK3CAPIK3CBMTORPIK3CG
SCHEMBL2996088 0.90 ENPP2 (0.48) PIK3CDPIK3CAPIK3CBMTORPIK3CG

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080214455-A1 Novel Chemical Compounds SMITHKLINE BEECHAM CORPORATION 2008-09-04 US claimed
EP-1879563-A4 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2008-07-16 EP claimed
EP-1879563-A2 NOVEL CHEMICAL COMPOUNDS Smithkline Beecham Corporation (US) 2008-01-23 EP claimed
WO-2006132739-A2 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-12-14 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
WO-2008150837-A1 METHODS OF TREATMENT SMITHKLINE BEECHAM CORPORATION (US) 2008-12-11 WO disclosed
US-20080214455-A1 Novel Chemical Compounds SMITHKLINE BEECHAM CORPORATION 2008-09-04 US disclosed
EP-1879563-A4 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2008-07-16 EP disclosed
EP-1879563-A2 NOVEL CHEMICAL COMPOUNDS Smithkline Beecham Corporation (US) 2008-01-23 EP disclosed
WO-2006132739-A2 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-12-14 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-20080214455-A1 Novel Chemical Compounds HIPK3, HIPK1, HIPK4 MEN1 3889/4885KMT2A 3294/4885LMNA 1257/4885
US-20100184774-A1 METHODS OF TREATMENT OPRL1, BRCA1, PKD1 MEN1 37/4885KMT2A 2272/4885LMNA 600/4885

“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.