SCHEMBL2885173

SCHEMBL2885173

CCOC(=O)C1CCCN(c2ncnc3ccc(C=C4SC(=O)NC4=O)cc23)C1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.53
KMT2A Q03164 5/20 0.53
PSMD14 O00487 1/20 0.51
HPGD P15428 5/20 0.49
ALDH1A1 P00352 4/20 0.49
MAPT P10636 3/20 0.49
CYP1A2 P05177 2/20 0.49
CYP3A4 P08684 2/20 0.49
CYP2C9 P11712 2/20 0.49
CYP2C19 P33261 2/20 0.49
LMNA P02545 1/20 0.48
MAPK1 P28482 3/20 0.48
KDM4E B2RXH2 2/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
HSD17B10 Q99714 2/20 0.48
NPSR1 Q6W5P4 2/20 0.48
TP53 P04637 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
TSHR P16473 1/20 0.47

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
SCHEMBL2885170 1.00 MEN1 (0.53) MEN1KMT2APSMD14HPGDALDH1A1
SCHEMBL6254891 0.93 MAPK1 (0.49) MEN1KMT2APSMD14HPGDALDH1A1
SCHEMBL2877194 0.90 MAPK1 (0.57) KMT2AHPGDALDH1A1MAPTMAPK1
SCHEMBL2877196 0.90 MAPK1 (0.57) KMT2AHPGDALDH1A1MAPTMAPK1
SCHEMBL2882765 0.88 DYRK1A (0.52) HPGDNPC1RAB9A
SCHEMBL12975503 0.88 DYRK1A (0.52) HPGDNPC1RAB9A
SCHEMBL2882769 0.88 DYRK1A (0.52) HPGDNPC1RAB9A
SCHEMBL6424320 0.86 MEN1 (0.41) MEN1KMT2APSMD14HPGDALDH1A1
SCHEMBL2882583 0.85 ALDH1A1 (0.56) MEN1KMT2AHPGDALDH1A1MAPT
SCHEMBL6071624 0.84 MEN1 (0.40) MEN1KMT2APSMD14HPGDALDH1A1

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 9 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

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 3006/4885PSMD14 1580/4885
US-20090042773-A1 P13 kinase gamma inhibitors for the treatment of anaemia PDPK1, PRKD3, PRKD1 MEN1 2366/4885KMT2A 1230/4885PSMD14 1452/4885
US-20050222225-A1 Use of compounds for increasing spermatozoa motility CATSPER1, PI4KB, MAN2B2 MEN1 3768/4885KMT2A 2969/4885PSMD14 3203/4885
US-20080306057-A1 P13K Inhibitors for the Treatment of Endometriosis PDPK1, PIK3R4, MAP3K3 MEN1 1758/4885KMT2A 603/4885PSMD14 768/4885
US-20060122176-A1 Azolidinone-vinyl fused-benzene derivatives BRCA1, ZAP70, F13B MEN1 1543/4885KMT2A 3104/4885PSMD14 1500/4885

“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.