SCHEMBL2883082

SCHEMBL2883082

O=C(CN1C(=O)COc2ccc(C=C3SC(=O)NC3=O)cc21)NCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 10/20 0.61
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C19 P33261 1/20 0.56
ALDH1A1 P00352 1/20 0.55
TP53 P04637 3/20 0.54
POLB P06746 1/20 0.54
KMT2A Q03164 1/20 0.54
MAPT P10636 2/20 0.52
TSHR P16473 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50

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
SCHEMBL12975575 1.00 PIK3CG (0.61) PIK3CGCYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL2877631 0.85 PIK3CG (0.60) PIK3CGALDH1A1TSHR
SCHEMBL5339477 0.84 PIK3CG (0.83) PIK3CG
SCHEMBL2877647 0.84 PIK3CG (0.83) PIK3CG
SCHEMBL12975568 0.81 PIK3CG (0.56) PIK3CGKMT2A
SCHEMBL2882004 0.81 PIK3CG (0.56) PIK3CGKMT2A
SCHEMBL5345298 0.76 PIK3CG (0.74) PIK3CG
SCHEMBL5345305 0.76 PIK3CG (0.74) PIK3CG
SCHEMBL5343609 0.76 PIK3CG (0.70) PIK3CGPOLB
SCHEMBL5343611 0.76 PIK3CG (0.70) PIK3CGPOLB

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 7 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-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-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 (4 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 PIK3CG 1265/4885CYP1A2 651/4885CYP3A4 444/4885
US-20090042773-A1 P13 kinase gamma inhibitors for the treatment of anaemia PDPK1, PRKD3, PRKD1 PIK3CG 52/4885CYP1A2 3026/4885CYP3A4 3522/4885
US-20050222225-A1 Use of compounds for increasing spermatozoa motility CATSPER1, PI4KB, MAN2B2 PIK3CG 110/4885CYP1A2 3293/4885CYP3A4 3896/4885
US-20060122176-A1 Azolidinone-vinyl fused-benzene derivatives BRCA1, ZAP70, F13B PIK3CG 1318/4885CYP1A2 620/4885CYP3A4 476/4885

“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.