SCHEMBL2990591

SCHEMBL2990591

COc1ccc(-c2ccccc2NC2=NC(=O)/C(=C/c3ccc4ncccc4c3)S2)cc1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 18/20 0.55
CYP3A4 P08684 1/20 0.46
PIK3CD O00329 1/20 0.43
PIM1 P11309 1/20 0.43
CSNK2A2 P19784 1/20 0.43
PIK3CA P42336 1/20 0.43
PIK3CG P48736 1/20 0.43
CLK1 P49759 1/20 0.43
CLK3 P49761 1/20 0.43
CSNK2B P67870 1/20 0.43
CSNK2A1 P68400 1/20 0.43
DYRK1A Q13627 1/20 0.43
HASPIN Q8TF76 1/20 0.43
DYRK2 Q92630 1/20 0.43
MYLK2 Q9H1R3 1/20 0.43
CLK4 Q9HAZ1 1/20 0.43
STK17A Q9UEE5 1/20 0.43
DYRK1B Q9Y463 1/20 0.43

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
SCHEMBL2990597 1.00 ALOX5 (0.55) ALOX5CYP3A4PIK3CDPIM1CSNK2A2
SCHEMBL2984410 0.90 PIK3CD (0.47) ALOX5CYP3A4PIK3CDPIM1CSNK2A2
SCHEMBL2984407 0.90 PIK3CD (0.47) ALOX5CYP3A4PIK3CDPIM1CSNK2A2
SCHEMBL2992955 0.89 PIK3CD (0.43) ALOX5CYP3A4PIK3CDPIM1CSNK2A2
SCHEMBL2992951 0.89 PIK3CD (0.43) ALOX5CYP3A4PIK3CDPIM1CSNK2A2
SCHEMBL2990249 0.88 PIK3CD (0.46) ALOX5CYP3A4PIK3CDPIM1CSNK2A2
SCHEMBL2990246 0.88 PIK3CD (0.46) ALOX5CYP3A4PIK3CDPIM1CSNK2A2
SCHEMBL2988157 0.82 DYRK1A (0.43) ALOX5PIK3CDPIM1CSNK2A2PIK3CA
SCHEMBL2988154 0.82 DYRK1A (0.43) ALOX5PIK3CDPIM1CSNK2A2PIK3CA
SCHEMBL2987157 0.81 ALOX5 (0.46) ALOX5CYP3A4PIK3CDPIM1CSNK2A2

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 5 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
US-20090203692-A1 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION 2009-08-13 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-20100184774-A1 METHODS OF TREATMENT OPRL1, BRCA1, PKD1 ALOX5 2869/4885CYP3A4 3111/4885PIK3CD 3361/4885
US-20090203692-A1 NOVEL CHEMICAL COMPOUNDS HIPK3, HIPK1, HIPK4 ALOX5 4155/4885CYP3A4 4857/4885PIK3CD 2485/4885

“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.