SCHEMBL2882080

SCHEMBL2882080

O=C1NC(=O)C(=Cc2ccc3c(c2)OCCO3)S1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 1.00
RAB9A P51151 2/20 0.68
PIK3CA P42336 1/20 0.68
PIK3CG P48736 1/20 0.68
NPC1 O15118 1/20 0.68
IGF1R P08069 1/20 0.57
HPGD P15428 3/20 0.57
PIM1 P11309 6/20 0.57
PIM2 Q9P1W9 6/20 0.57
PIM3 Q86V86 1/20 0.57
DYRK1A Q13627 3/20 0.56
DYRK1B Q9Y463 3/20 0.56
CLK1 P49759 2/20 0.56
CSNK2A2 P19784 2/20 0.56
CSNK2B P67870 2/20 0.56
CSNK2A1 P68400 2/20 0.56
DYRK2 Q92630 1/20 0.56
CLK2 P49760 1/20 0.56
CLK3 P49761 1/20 0.56
AKR1B1 P15121 3/20 0.55

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
SCHEMBL6796814 1.00 GSK3B (1.00) GSK3BRAB9APIK3CAPIK3CGNPC1
SCHEMBL2882077 1.00 GSK3B (1.00) GSK3BRAB9APIK3CAPIK3CGNPC1
SCHEMBL29369746 0.91 GSK3B (0.83) GSK3BRAB9APIK3CAPIK3CGNPC1
SCHEMBL1249098 0.91 GSK3B (0.83) GSK3BRAB9APIK3CAPIK3CGNPC1
SCHEMBL2882197 0.91 GSK3B (0.83) GSK3BRAB9APIK3CAPIK3CGNPC1
SCHEMBL1249096 0.91 GSK3B (0.83) GSK3BRAB9APIK3CAPIK3CGNPC1
SCHEMBL30250232 0.87 GSK3B (0.77) GSK3BRAB9ANPC1PIM1DYRK1A
SCHEMBL2884578 0.84 DYRK1A (0.79) GSK3BRAB9APIK3CAPIK3CGNPC1
SCHEMBL6795136 0.84 DYRK1A (0.79) GSK3BRAB9APIK3CAPIK3CGNPC1
SCHEMBL2884580 0.84 DYRK1A (0.79) GSK3BRAB9APIK3CAPIK3CGNPC1

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 16 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
EP-1807075-A2 PI3 KINASE GAMMA INHIBITORS FOR THE TREATMENT OF ANAEMIA Applied Research Systems ARS Holding N.V. (AN) 2007-07-18 EP claimed
US-20060122176-A1 Azolidinone-vinyl fused-benzene derivatives MERCK SERONO SA (CH) 2006-06-08 US claimed
WO-2006040318-A2 PI3 KINASE GAMMA INHIBITORS FOR THE TREATMENT OF ANAEMIA APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2006-04-20 WO 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-20090042773-A1 P13 kinase gamma inhibitors for the treatment of anaemia MERCK SERONO SA (CH) 2009-02-12 US disclosed
US-20080306057-A1 P13K Inhibitors for the Treatment of Endometriosis LABORATORIES SERONO SA (CH) 2008-12-11 US disclosed
EP-1807075-A2 PI3 KINASE GAMMA INHIBITORS FOR THE TREATMENT OF ANAEMIA Applied Research Systems ARS Holding N.V. (AN) 2007-07-18 EP disclosed
US-20060122176-A1 Azolidinone-vinyl fused-benzene derivatives MERCK SERONO SA (CH) 2006-06-08 US disclosed
WO-2006040318-A2 PI3 KINASE GAMMA INHIBITORS FOR THE TREATMENT OF ANAEMIA APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2006-04-20 WO disclosed
US-20050222225-A1 Use of compounds for increasing spermatozoa motility APPLIED RESEARCH SYSTEMS ARS HOLDING NV (NL) 2005-10-06 US disclosed
US-20040092561-A1 Azolidinone-vinyl fused -benzene derivatives APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2004-05-13 US disclosed
WO-2000018746-A1 THIAZOLIDINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF METABOLIC BONE DISORDERS ROCHE DIAGNOSTICS GMBH (DE) 2000-04-06 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 (6 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 GSK3B 2843/4885RAB9A 1515/4885PIK3CA 619/4885
US-20040092561-A1 Azolidinone-vinyl fused -benzene derivatives BRCA1, ZAP70, ZYX GSK3B 2800/4885RAB9A 1510/4885PIK3CA 410/4885
US-20090042773-A1 P13 kinase gamma inhibitors for the treatment of anaemia PDPK1, PRKD3, PRKD1 GSK3B 100/4885RAB9A 1524/4885PIK3CA 17/4885
US-20050222225-A1 Use of compounds for increasing spermatozoa motility CATSPER1, PI4KB, MAN2B2 GSK3B 1040/4885RAB9A 1737/4885PIK3CA 130/4885
US-20080306057-A1 P13K Inhibitors for the Treatment of Endometriosis PDPK1, PIK3R4, MAP3K3 GSK3B 126/4885RAB9A 1949/4885PIK3CA 29/4885
US-20060122176-A1 Azolidinone-vinyl fused-benzene derivatives BRCA1, ZAP70, F13B GSK3B 3188/4885RAB9A 1504/4885PIK3CA 559/4885

“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.