SCHEMBL2880429

SCHEMBL2880429

Nc1ncnc2ccc(C=C3SC(=O)NC3=O)cc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CISD1 Q9NZ45 5/20 0.60
MAOB P27338 3/20 0.60
RAB9A P51151 3/20 0.60
PIK3CD O00329 2/20 0.60
CSNK2A2 P19784 2/20 0.60
PIK3CA P42336 2/20 0.60
PIK3CB P42338 2/20 0.60
MTOR P42345 2/20 0.60
PIK3CG P48736 2/20 0.60
CLK1 P49759 2/20 0.60
DYRK1A Q13627 2/20 0.60
NPC1 O15118 2/20 0.60
CSNK2B P67870 1/20 0.60
CSNK2A1 P68400 1/20 0.60
DYRK2 Q92630 1/20 0.60
DYRK1B Q9Y463 1/20 0.60
PIM1 P11309 10/20 0.58
GAK O14976 1/20 0.58
RPS6KA4 O75676 1/20 0.58
STK10 O94804 1/20 0.58

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
SCHEMBL2880427 1.00 CISD1 (0.60) CISD1MAOBRAB9APIK3CDCSNK2A2
SCHEMBL2877564 0.81 CISD1 (0.56) CISD1MAOBRAB9APIK3CDCSNK2A2
SCHEMBL2882652 0.81 PIM1 (0.56) CISD1MAOBRAB9APIK3CDCSNK2A2
SCHEMBL2877560 0.81 CISD1 (0.56) CISD1MAOBRAB9APIK3CDCSNK2A2
SCHEMBL2882650 0.81 PIM1 (0.56) CISD1MAOBRAB9APIK3CDCSNK2A2
SCHEMBL2882375 0.81 CISD1 (0.60) CISD1MAOBRAB9APIK3CDCSNK2A2
SCHEMBL12975474 0.81 PIM1 (0.56) CISD1MAOBRAB9APIK3CDCSNK2A2
SCHEMBL2882373 0.81 CISD1 (0.60) CISD1MAOBRAB9APIK3CDCSNK2A2
SCHEMBL12975471 0.81 CISD1 (0.56) CISD1MAOBRAB9APIK3CDCSNK2A2
SCHEMBL12975463 0.81 CISD1 (0.60) CISD1MAOBRAB9APIK3CDCSNK2A2

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 13 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-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 CISD1 2410/4885MAOB 1382/4885RAB9A 1515/4885
US-20090042773-A1 P13 kinase gamma inhibitors for the treatment of anaemia PDPK1, PRKD3, PRKD1 CISD1 2142/4885MAOB 3943/4885RAB9A 1524/4885
US-20050222225-A1 Use of compounds for increasing spermatozoa motility CATSPER1, PI4KB, MAN2B2 CISD1 4750/4885MAOB 2428/4885RAB9A 1737/4885
US-20080306057-A1 P13K Inhibitors for the Treatment of Endometriosis PDPK1, PIK3R4, MAP3K3 CISD1 3440/4885MAOB 3973/4885RAB9A 1949/4885
US-20060122176-A1 Azolidinone-vinyl fused-benzene derivatives BRCA1, ZAP70, F13B CISD1 2197/4885MAOB 1601/4885RAB9A 1504/4885

“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.