SCHEMBL2880229

SCHEMBL2880229

COc1ccccc1Cn1cnc2ccc(/C=C3/SC(=O)NC3=O)cc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
NOD2 Q9HC29 1/20 0.52
PIM1 P11309 3/20 0.51
PIM2 Q9P1W9 3/20 0.51
PIM3 Q86V86 2/20 0.51
PDE4B Q07343 1/20 0.51
IGF1R P08069 1/20 0.51
MGAM O43451 2/20 0.51
GAA P10253 2/20 0.51
SI P14410 2/20 0.51
MGAM2 Q2M2H8 2/20 0.51
GSK3B P49841 3/20 0.48
GSK3A P49840 2/20 0.48
CDC7 O00311 1/20 0.48
DAPK3 O43293 1/20 0.48
DYRK3 O43781 1/20 0.48
MAP4K4 O95819 1/20 0.48
PHKG2 P15735 1/20 0.48
RPS6KB1 P23443 1/20 0.48

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
SCHEMBL2880230 1.00 MEN1 (0.55) MEN1KMT2ANOD2PIM1PIM2
SCHEMBL2877653 0.81 CISD1 (0.56) PIM1PIM2PIM3PDE4BIGF1R
SCHEMBL2877652 0.81 CISD1 (0.56) PIM1PIM2PIM3PDE4BIGF1R
SCHEMBL12975487 0.81 CISD1 (0.56) PIM1PIM2PIM3PDE4BIGF1R
SCHEMBL2883618 0.80 PDE4B (0.58) MEN1KMT2APIM1PIM2PIM3
SCHEMBL2883617 0.80 PDE4B (0.58) MEN1KMT2APIM1PIM2PIM3
SCHEMBL2885072 0.80 AKR1B1 (0.50) MEN1KMT2ANOD2MGAMGAA
SCHEMBL2885069 0.80 AKR1B1 (0.50) MEN1KMT2ANOD2MGAMGAA
SCHEMBL2881408 0.80 FLT3 (0.43) GAAHPGD
SCHEMBL2883164 0.79 CISD1 (0.54) PIM1PIM2PIM3PDE4BIGF1R

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-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
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 MEN1 1495/4885KMT2A 3006/4885NOD2 977/4885
US-20090042773-A1 P13 kinase gamma inhibitors for the treatment of anaemia PDPK1, PRKD3, PRKD1 MEN1 2366/4885KMT2A 1230/4885NOD2 4764/4885
US-20050222225-A1 Use of compounds for increasing spermatozoa motility CATSPER1, PI4KB, MAN2B2 MEN1 3768/4885KMT2A 2969/4885NOD2 4872/4885
US-20080306057-A1 P13K Inhibitors for the Treatment of Endometriosis PDPK1, PIK3R4, MAP3K3 MEN1 1758/4885KMT2A 603/4885NOD2 3636/4885
US-20060122176-A1 Azolidinone-vinyl fused-benzene derivatives BRCA1, ZAP70, F13B MEN1 1543/4885KMT2A 3104/4885NOD2 856/4885

“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.