SCHEMBL2881839

SCHEMBL2881839

C#CCn1cnc2ccc(C=C3SC(=O)NC3=O)cc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 6/20 0.54
MAOA P21397 6/20 0.54
PTGS2 P35354 2/20 0.54
CISD1 Q9NZ45 4/20 0.53
MTOR P42345 3/20 0.53
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
PIK3CD O00329 2/20 0.53
CSNK2A2 P19784 2/20 0.53
PIK3CA P42336 2/20 0.53
PIK3CB P42338 2/20 0.53
PIK3CG P48736 2/20 0.53
CLK1 P49759 2/20 0.53
DYRK1A Q13627 2/20 0.53
CSNK2B P67870 1/20 0.53
CSNK2A1 P68400 1/20 0.53
DYRK2 Q92630 1/20 0.53
DYRK1B Q9Y463 1/20 0.53
MGAM O43451 1/20 0.52
GAA P10253 1/20 0.52

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
SCHEMBL2881836 1.00 MAOB (0.54) MAOBMAOAPTGS2CISD1MTOR
SCHEMBL2877653 0.85 CISD1 (0.56) MAOBMAOACISD1MTORNPC1
SCHEMBL12975487 0.85 CISD1 (0.56) MAOBMAOACISD1MTORNPC1
SCHEMBL2877652 0.85 CISD1 (0.56) MAOBMAOACISD1MTORNPC1
SCHEMBL2883161 0.83 CISD1 (0.54) MAOBMAOACISD1MTORNPC1
SCHEMBL2883164 0.83 CISD1 (0.54) MAOBMAOACISD1MTORNPC1
SCHEMBL2881834 0.82 CISD1 (0.53) MAOBMAOACISD1MTORNPC1
SCHEMBL2881833 0.82 CISD1 (0.53) MAOBMAOACISD1MTORNPC1
SCHEMBL6422799 0.78 HPGD (0.52) MAOBCISD1MTORNPC1RAB9A
SCHEMBL2880080 0.78 PIK3CG (0.48) MAOBMAOAPTGS2CISD1MTOR

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 MAOB 1382/4885MAOA 2983/4885PTGS2 2665/4885
US-20090042773-A1 P13 kinase gamma inhibitors for the treatment of anaemia PDPK1, PRKD3, PRKD1 MAOB 3943/4885MAOA 4354/4885PTGS2 3272/4885
US-20050222225-A1 Use of compounds for increasing spermatozoa motility CATSPER1, PI4KB, MAN2B2 MAOB 2428/4885MAOA 3151/4885PTGS2 2418/4885
US-20080306057-A1 P13K Inhibitors for the Treatment of Endometriosis PDPK1, PIK3R4, MAP3K3 MAOB 3973/4885MAOA 4012/4885PTGS2 1775/4885
US-20060122176-A1 Azolidinone-vinyl fused-benzene derivatives BRCA1, ZAP70, F13B MAOB 1601/4885MAOA 3069/4885PTGS2 2804/4885

“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.