SCHEMBL2880263

SCHEMBL2880263

O=C1NC(=O)/C(=C/c2ccc3ncnc(N4CCC(O)CC4)c3c2)S1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 3/20 0.53
CISD1 Q9NZ45 4/20 0.49
PIK3CG P48736 3/20 0.49
CSNK2A2 P19784 2/20 0.49
PIK3CA P42336 2/20 0.49
PIK3CB P42338 2/20 0.49
MTOR P42345 2/20 0.49
CLK1 P49759 2/20 0.49
DYRK1A Q13627 2/20 0.49
RAB9A P51151 2/20 0.49
NPC1 O15118 1/20 0.49
MAOB P27338 1/20 0.49
CSNK2B P67870 1/20 0.49
CSNK2A1 P68400 1/20 0.49
DYRK2 Q92630 1/20 0.49
DYRK1B Q9Y463 1/20 0.49
PIM1 P11309 3/20 0.48
GAK O14976 1/20 0.48
RPS6KA4 O75676 1/20 0.48
STK10 O94804 1/20 0.48

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
SCHEMBL2880264 1.00 PIK3CD (0.53) PIK3CDCISD1PIK3CGCSNK2A2PIK3CA
SCHEMBL2876848 0.90 PIK3CD (0.53) PIK3CDCISD1PIK3CGCSNK2A2PIK3CA
SCHEMBL2876844 0.90 PIK3CD (0.53) PIK3CDCISD1PIK3CGCSNK2A2PIK3CA
SCHEMBL2877236 0.89 PIK3CD (0.51) PIK3CDCISD1PIK3CGCSNK2A2PIK3CA
SCHEMBL12975464 0.89 PIK3CD (0.51) PIK3CDCISD1PIK3CGCSNK2A2PIK3CA
SCHEMBL2877240 0.89 PIK3CD (0.51) PIK3CDCISD1PIK3CGCSNK2A2PIK3CA
SCHEMBL2884702 0.88 CISD1 (0.54) PIK3CDCISD1PIK3CGCSNK2A2PIK3CA
SCHEMBL2882271 0.87 CISD1 (0.53) PIK3CDCISD1PIK3CGCSNK2A2PIK3CA
SCHEMBL2882270 0.87 CISD1 (0.53) PIK3CDCISD1PIK3CGCSNK2A2PIK3CA
SCHEMBL2882472 0.85 MEN1 (0.53) PIK3CDCISD1PIK3CGCSNK2A2PIK3CA

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-7846925-B2 Azolidinone-vinyl fused-benzene derivatives MERCK SERONO SA (CH) 2010-12-07 US claimed
US-20090042773-A1 P13 kinase gamma inhibitors for the treatment of anaemia MERCK SERONO SA (CH) 2009-02-12 US claimed
US-20060122176-A1 Azolidinone-vinyl fused-benzene derivatives MERCK SERONO SA (CH) 2006-06-08 US claimed
US-20050222225-A1 Use of compounds for increasing spermatozoa motility APPLIED RESEARCH SYSTEMS ARS HOLDING NV (NL) 2005-10-06 US claimed
US-7846925-B2 Azolidinone-vinyl fused-benzene derivatives MERCK SERONO SA (CH) 2010-12-07 US disclosed
US-20090306069-A1 AZOLIDINONE-VINYL FUSED-BENZENE DERIVATIVES LABORATOIRES SERONO S.A. (CH) 2009-12-10 US disclosed
US-20080306057-A1 P13K Inhibitors for the Treatment of Endometriosis LABORATORIES SERONO SA (CH) 2008-12-11 US disclosed
US-20060122176-A1 Azolidinone-vinyl fused-benzene derivatives MERCK SERONO SA (CH) 2006-06-08 US disclosed
US-20050222225-A1 Use of compounds for increasing spermatozoa motility APPLIED RESEARCH SYSTEMS ARS HOLDING NV (NL) 2005-10-06 US disclosed
EP-1531813-A1 USE OF COMPOUNDS FOR INCREASING SPERMATOZOA MOTILITY Applied Research Systems ARS Holding N.V. (AN) 2005-05-25 EP disclosed
WO-2004006916-A1 USE OF COMPOUNDS FOR INCREASING SPERMATOZOA MOTILITY APPLIED RESEARCH SYSTEMS ARS HOLDING NV (AN) 2004-01-22 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 (5 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-20090306069-A1 AZOLIDINONE-VINYL FUSED-BENZENE DERIVATIVES ZAP70, BRCA1, ZYX PIK3CD 769/4885CISD1 2410/4885PIK3CG 1265/4885
US-20090042773-A1 P13 kinase gamma inhibitors for the treatment of anaemia PDPK1, PRKD3, PRKD1 PIK3CD 39/4885CISD1 2142/4885PIK3CG 52/4885
US-20050222225-A1 Use of compounds for increasing spermatozoa motility CATSPER1, PI4KB, MAN2B2 PIK3CD 118/4885CISD1 4750/4885PIK3CG 110/4885
US-20080306057-A1 P13K Inhibitors for the Treatment of Endometriosis PDPK1, PIK3R4, MAP3K3 PIK3CD 43/4885CISD1 3440/4885PIK3CG 52/4885
US-20060122176-A1 Azolidinone-vinyl fused-benzene derivatives BRCA1, ZAP70, F13B PIK3CD 771/4885CISD1 2197/4885PIK3CG 1318/4885

“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.