SCHEMBL2992608

SCHEMBL2992608

COCC(=O)Nc1ccc(Cl)c(NC2=NC(=O)C(=Cc3ccc4nccnc4c3)S2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.44
POLB P06746 2/20 0.44
KMT2A Q03164 2/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
RECQL P46063 1/20 0.44
HDAC4 P56524 5/20 0.41
CISD1 Q9NZ45 2/20 0.41
EGFR P00533 1/20 0.41
NOTUM Q6P988 1/20 0.39
ALOX5 P09917 2/20 0.39
CDYL Q9Y232 1/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
MEN1 O00255 1/20 0.37
CASP3 P42574 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
CLK1 P49759 2/20 0.37
DYRK1A Q13627 2/20 0.37
DYRK2 Q92630 2/20 0.37

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
SCHEMBL2992605 1.00 HPGD (0.44) HPGDPOLBKMT2ALMNAMAPT
SCHEMBL2990900 0.91 ALOX5 (0.44) HPGDPOLBKMT2ALMNAMAPT
SCHEMBL2990895 0.91 ALOX5 (0.44) HPGDPOLBKMT2ALMNAMAPT
SCHEMBL2996093 0.90 NOTUM (0.43) HPGDPOLBKMT2ALMNAMAPT
SCHEMBL2996091 0.90 NOTUM (0.43) HPGDPOLBKMT2ALMNAMAPT
SCHEMBL2992893 0.85 NPC1 (0.39) HPGDPOLBKMT2ALMNAMAPT
SCHEMBL2994948 0.85 KMT2A (0.41) HPGDPOLBKMT2ALMNAMAPT
SCHEMBL2992895 0.85 NPC1 (0.39) HPGDPOLBKMT2ALMNAMAPT
SCHEMBL2994951 0.85 KMT2A (0.41) HPGDPOLBKMT2ALMNAMAPT
SCHEMBL4949454 0.85 CISD1 (0.40) HPGDPOLBKMT2ALMNAMAPT

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 7 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
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 HPGD 3791/4885POLB 991/4885KMT2A 2272/4885
US-20090203692-A1 NOVEL CHEMICAL COMPOUNDS HIPK3, HIPK1, HIPK4 HPGD 3497/4885POLB 3047/4885KMT2A 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.