SCHEMBL2877196

SCHEMBL2877196

CCOC(=O)C1CCN(c2ncnc3ccc(C=C4SC(=O)NC4=O)cc23)CC1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.57
HPGD P15428 7/20 0.51
GPR119 Q8TDV5 3/20 0.49
MAPT P10636 5/20 0.49
RAB9A P51151 1/20 0.49
POLB P06746 1/20 0.49
KMT2A Q03164 1/20 0.49
ALDH1A1 P00352 3/20 0.47
PIK3CD O00329 1/20 0.46
KDM4E B2RXH2 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
TSHR P16473 2/20 0.46
HSD17B10 Q99714 2/20 0.46
ALOX12 P18054 1/20 0.46

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
SCHEMBL2877194 1.00 MAPK1 (0.57) MAPK1HPGDGPR119MAPTRAB9A
SCHEMBL6254891 0.92 MAPK1 (0.49) MAPK1HPGDGPR119MAPTRAB9A
SCHEMBL2885173 0.90 MEN1 (0.53) MAPK1HPGDGPR119MAPTRAB9A
SCHEMBL2885170 0.90 MEN1 (0.53) MAPK1HPGDGPR119MAPTRAB9A
SCHEMBL5242163 0.88 GPR119 (0.49) HPGDGPR119PIK3CD
SCHEMBL2877240 0.87 PIK3CD (0.51) HPGDGPR119RAB9AALDH1A1PIK3CD
SCHEMBL2877236 0.87 PIK3CD (0.51) HPGDGPR119RAB9AALDH1A1PIK3CD
SCHEMBL12975464 0.87 PIK3CD (0.51) HPGDGPR119RAB9AALDH1A1PIK3CD
SCHEMBL2882110 0.84 MAPK1 (0.67) MAPK1HPGDGPR119MAPTRAB9A
SCHEMBL2880264 0.84 PIK3CD (0.53) HPGDGPR119RAB9APIK3CD

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 MAPK1 3980/4885HPGD 2011/4885GPR119 710/4885
US-20090042773-A1 P13 kinase gamma inhibitors for the treatment of anaemia PDPK1, PRKD3, PRKD1 MAPK1 462/4885HPGD 1757/4885GPR119 1245/4885
US-20050222225-A1 Use of compounds for increasing spermatozoa motility CATSPER1, PI4KB, MAN2B2 MAPK1 203/4885HPGD 3176/4885GPR119 791/4885
US-20080306057-A1 P13K Inhibitors for the Treatment of Endometriosis PDPK1, PIK3R4, MAP3K3 MAPK1 94/4885HPGD 3709/4885GPR119 1200/4885
US-20060122176-A1 Azolidinone-vinyl fused-benzene derivatives BRCA1, ZAP70, F13B MAPK1 4064/4885HPGD 2135/4885GPR119 767/4885

“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.