SCHEMBL2877236

SCHEMBL2877236

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 3/20 0.51
ALDH1A1 P00352 2/20 0.51
CYP1A2 P05177 2/20 0.51
CLK4 Q9HAZ1 2/20 0.51
CYP2C9 P11712 1/20 0.51
HSD17B10 Q99714 1/20 0.51
HPGD P15428 13/20 0.49
DYRK1A Q13627 3/20 0.49
CYP3A4 P08684 1/20 0.49
CSNK2A2 P19784 2/20 0.47
PIK3CA P42336 2/20 0.47
PIK3CB P42338 2/20 0.47
MTOR P42345 2/20 0.47
PIK3CG P48736 2/20 0.47
CLK1 P49759 2/20 0.47
NPC1 O15118 1/20 0.47
MAOB P27338 1/20 0.47
RAB9A P51151 1/20 0.47
CSNK2B P67870 1/20 0.47
CSNK2A1 P68400 1/20 0.47

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
SCHEMBL2877240 1.00 PIK3CD (0.51) PIK3CDALDH1A1CYP1A2CLK4CYP2C9
SCHEMBL12975464 1.00 PIK3CD (0.51) PIK3CDALDH1A1CYP1A2CLK4CYP2C9
SCHEMBL2880264 0.89 PIK3CD (0.53) PIK3CDHPGDDYRK1ACSNK2A2PIK3CA
SCHEMBL2880263 0.89 PIK3CD (0.53) PIK3CDHPGDDYRK1ACSNK2A2PIK3CA
SCHEMBL12975503 0.89 DYRK1A (0.52) PIK3CDHPGDDYRK1ACSNK2A2PIK3CA
SCHEMBL2882765 0.89 DYRK1A (0.52) PIK3CDHPGDDYRK1ACSNK2A2PIK3CA
SCHEMBL2882769 0.89 DYRK1A (0.52) PIK3CDHPGDDYRK1ACSNK2A2PIK3CA
SCHEMBL2876848 0.87 PIK3CD (0.53) PIK3CDHPGDDYRK1ACSNK2A2PIK3CA
SCHEMBL2876844 0.87 PIK3CD (0.53) PIK3CDHPGDDYRK1ACSNK2A2PIK3CA
SCHEMBL2877196 0.87 MAPK1 (0.57) PIK3CDALDH1A1HSD17B10HPGDRAB9A

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 769/4885ALDH1A1 716/4885CYP1A2 651/4885
US-20090042773-A1 P13 kinase gamma inhibitors for the treatment of anaemia PDPK1, PRKD3, PRKD1 PIK3CD 39/4885ALDH1A1 3006/4885CYP1A2 3026/4885
US-20050222225-A1 Use of compounds for increasing spermatozoa motility CATSPER1, PI4KB, MAN2B2 PIK3CD 118/4885ALDH1A1 1935/4885CYP1A2 3293/4885
US-20080306057-A1 P13K Inhibitors for the Treatment of Endometriosis PDPK1, PIK3R4, MAP3K3 PIK3CD 43/4885ALDH1A1 2521/4885CYP1A2 2177/4885
US-20060122176-A1 Azolidinone-vinyl fused-benzene derivatives BRCA1, ZAP70, F13B PIK3CD 771/4885ALDH1A1 678/4885CYP1A2 620/4885

“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.