SCHEMBL2404183

SCHEMBL2404183

COc1ccc(-c2nc3c(s2)C(=O)C(NCCCN(C)CCCNC2=CC(=O)c4sc(C)nc4C2=O)=CC3=O)cc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CDC25A P30304 1/20 0.53
CDC25B P30305 1/20 0.53
CDC25C P30307 1/20 0.53
CDK4 P11802 9/20 0.53
PRMT1 Q99873 3/20 0.41
MEN1 O00255 1/20 0.40
THRB P10828 1/20 0.40
CCND1 P24385 1/20 0.40
BLM P54132 1/20 0.40
KMT2A Q03164 1/20 0.40
KMT5A Q9NQR1 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
PTGS2 P35354 1/20 0.36
ALOX5 P09917 1/20 0.35
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL2400614 0.82 CDC25A (0.62) CDC25ACDC25BCDC25CCDK4MEN1
SCHEMBL2398380 0.82 CDC25A (0.77) CDC25ACDC25BCDC25CCDK4MEN1
SCHEMBL2400259 0.82 CDC25A (0.59) CDC25ACDC25BCDC25CCDK4PRMT1
SCHEMBL2400913 0.82 CDK4 (0.50) CDC25ACDC25BCDC25CCDK4MEN1
SCHEMBL2398480 0.81 CDK4 (0.56) CDC25ACDC25BCDC25CCDK4MEN1
SCHEMBL2402571 0.80 CDC25A (0.73) CDC25ACDC25BCDC25CCDK4MEN1
SCHEMBL2401281 0.79 CDC25A (0.75) CDC25ACDC25BCDC25CCDK4MEN1
SCHEMBL2403305 0.78 CDK4 (0.61) CDC25ACDC25BCDC25CCDK4MEN1
SCHEMBL2400643 0.78 S100A4 (0.39) CDC25ACDC25BCDC25CPRMT1ALDH1A1
SCHEMBL2399099 0.77 CDC25A (0.69) CDC25ACDC25BCDC25CCDK4MEN1

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-20090275624-A1 INHIBITORS OF CDC PHOSPHATASES SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2009-11-05 US claimed
EP-1831209-B1 CDC25 PHOSPHATASE INHIBITORS IPSEN PHARMA (FR) 2009-08-12 EP claimed
EP-1831209-A2 CDC25 PHOSPHATASE INHIBITORS Société de Conseils de Recherches et d'Applications Scientifiques SAS (S.C.R.A.S) (FR) 2007-09-12 EP claimed
WO-2006067311-A2 CDC25 PHOSPHATASE INHIBITORS SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) SAS (FR) 2006-06-29 WO claimed
US-8017637-B2 Inhibitors of cdc phosphatases IPSEN PHARMA S.A.S. (FR) 2011-09-13 US disclosed
US-20090275624-A1 INHIBITORS OF CDC PHOSPHATASES SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2009-11-05 US disclosed
EP-1831209-B1 CDC25 PHOSPHATASE INHIBITORS IPSEN PHARMA (FR) 2009-08-12 EP 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 (1 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-20090275624-A1 INHIBITORS OF CDC PHOSPHATASES CDC25C, CDC25A, CDC25B CDC25A 2/4885CDC25B 3/4885CDC25C 1/4885

“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.