SCHEMBL2884706

SCHEMBL2884706

O=C1NC(=O)/C(=C\c2ccc3ncn(CCc4cccc5c4OCO5)c3c2)S1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.45
GAA P10253 1/20 0.45
SI P14410 1/20 0.45
MGAM2 Q2M2H8 1/20 0.45
CISD1 Q9NZ45 4/20 0.43
MAOB P27338 2/20 0.43
NPC1 O15118 2/20 0.43
PIK3CA P42336 2/20 0.43
PIK3CG P48736 2/20 0.43
RAB9A P51151 2/20 0.43
PIK3CD O00329 1/20 0.43
CSNK2A2 P19784 1/20 0.43
PIK3CB P42338 1/20 0.43
MTOR P42345 1/20 0.43
CLK1 P49759 1/20 0.43
CSNK2B P67870 1/20 0.43
CSNK2A1 P68400 1/20 0.43
DYRK1A Q13627 1/20 0.43
DYRK2 Q92630 1/20 0.43
DYRK1B Q9Y463 1/20 0.43

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
SCHEMBL2884708 1.00 MGAM (0.45) MGAMGAASIMGAM2CISD1
SCHEMBL4667184 0.94 MGAM (0.40) MGAMGAASIMGAM2CISD1
SCHEMBL2885072 0.79 AKR1B1 (0.50) MGAMGAASIMGAM2CISD1
SCHEMBL2885069 0.79 AKR1B1 (0.50) MGAMGAASIMGAM2CISD1
SCHEMBL2883164 0.78 CISD1 (0.54) MGAMGAASIMGAM2CISD1
SCHEMBL2883161 0.78 CISD1 (0.54) MGAMGAASIMGAM2CISD1
SCHEMBL2877667 0.77 HPGD (0.52) MGAMGAASIMGAM2CISD1
SCHEMBL2877670 0.77 HPGD (0.52) MGAMGAASIMGAM2CISD1
SCHEMBL6422799 0.77 HPGD (0.52) MGAMGAASIMGAM2CISD1
SCHEMBL2877339 0.76 HPGD (0.57) MGAMGAASIMGAM2HPGD

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-1549644-A1 AZOLIDINONE-VINYL FUSED-BENZENE DERIVATIVES Applied Research Systems ARS Holding N.V. (AN) 2005-07-06 EP disclosed
WO-2004007491-A1 AZOLIDINONE-VINYL FUSED-BENZENE DERIVATIVES APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (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 MGAM 4723/4885GAA 4371/4885SI 4194/4885
US-20090042773-A1 P13 kinase gamma inhibitors for the treatment of anaemia PDPK1, PRKD3, PRKD1 MGAM 3581/4885GAA 1204/4885SI 3200/4885
US-20050222225-A1 Use of compounds for increasing spermatozoa motility CATSPER1, PI4KB, MAN2B2 MGAM 2893/4885GAA 1159/4885SI 3849/4885
US-20080306057-A1 P13K Inhibitors for the Treatment of Endometriosis PDPK1, PIK3R4, MAP3K3 MGAM 3264/4885GAA 3721/4885SI 4152/4885
US-20060122176-A1 Azolidinone-vinyl fused-benzene derivatives BRCA1, ZAP70, F13B MGAM 4774/4885GAA 4459/4885SI 4328/4885

“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.