SCHEMBL2882653

SCHEMBL2882653

CN1CCN(c2ncnc3ccc(/C=C4\SC(=O)NC4=O)cc23)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.53
PIK3CD O00329 3/20 0.51
CSNK2A2 P19784 2/20 0.51
PIK3CA P42336 2/20 0.51
PIK3CB P42338 2/20 0.51
MTOR P42345 2/20 0.51
PIK3CG P48736 2/20 0.51
CLK1 P49759 2/20 0.51
DYRK1A Q13627 2/20 0.51
NPC1 O15118 1/20 0.51
MAOB P27338 1/20 0.51
RAB9A P51151 1/20 0.51
CSNK2B P67870 1/20 0.51
CSNK2A1 P68400 1/20 0.51
DYRK2 Q92630 1/20 0.51
CISD1 Q9NZ45 1/20 0.51
DYRK1B Q9Y463 1/20 0.51
PIM1 P11309 2/20 0.50
GAK O14976 1/20 0.50
RPS6KA4 O75676 1/20 0.50

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
SCHEMBL2882656 1.00 HTT (0.53) HTTPIK3CDCSNK2A2PIK3CAPIK3CB
SCHEMBL2884702 0.90 CISD1 (0.54) HTTPIK3CDCSNK2A2PIK3CAPIK3CB
SCHEMBL2882270 0.89 CISD1 (0.53) HTTPIK3CDCSNK2A2PIK3CAPIK3CB
SCHEMBL2882271 0.89 CISD1 (0.53) HTTPIK3CDCSNK2A2PIK3CAPIK3CB
SCHEMBL2880770 0.88 CISD1 (0.52) PIK3CDCSNK2A2PIK3CAPIK3CBMTOR
SCHEMBL2880773 0.88 CISD1 (0.52) PIK3CDCSNK2A2PIK3CAPIK3CBMTOR
SCHEMBL2876848 0.88 PIK3CD (0.53) HTTPIK3CDCSNK2A2PIK3CAPIK3CB
SCHEMBL2876844 0.88 PIK3CD (0.53) HTTPIK3CDCSNK2A2PIK3CAPIK3CB
SCHEMBL2882472 0.87 MEN1 (0.53) PIK3CDCSNK2A2PIK3CAPIK3CBMTOR
SCHEMBL2882471 0.87 MEN1 (0.53) PIK3CDCSNK2A2PIK3CAPIK3CBMTOR

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 HTT 1649/4885PIK3CD 769/4885CSNK2A2 4143/4885
US-20090042773-A1 P13 kinase gamma inhibitors for the treatment of anaemia PDPK1, PRKD3, PRKD1 HTT 3492/4885PIK3CD 39/4885CSNK2A2 388/4885
US-20050222225-A1 Use of compounds for increasing spermatozoa motility CATSPER1, PI4KB, MAN2B2 HTT 3887/4885PIK3CD 118/4885CSNK2A2 338/4885
US-20080306057-A1 P13K Inhibitors for the Treatment of Endometriosis PDPK1, PIK3R4, MAP3K3 HTT 2107/4885PIK3CD 43/4885CSNK2A2 583/4885
US-20060122176-A1 Azolidinone-vinyl fused-benzene derivatives BRCA1, ZAP70, F13B HTT 1583/4885PIK3CD 771/4885CSNK2A2 4161/4885

“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.