SCHEMBL2398451

SCHEMBL2398451

COc1ccc(C(=O)N2CCN(C(=O)c3nc4c(s3)C(=O)C=C(NCCCN(C)CCCNC3=CC(=O)c5sc(C)nc5C3=O)C4=O)CC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 9/20 0.48
CDC25A P30304 1/20 0.48
CDC25B P30305 1/20 0.48
CDC25C P30307 1/20 0.48
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
HPGD P15428 2/20 0.45
ALDH1A1 P00352 2/20 0.45
KDM4E B2RXH2 1/20 0.45
CYP1A2 P05177 1/20 0.45
GLA P06280 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
TSHR P16473 1/20 0.45
PTGS1 P23219 1/20 0.45
PTGS2 P35354 1/20 0.45
HSD17B10 Q99714 1/20 0.45
THRB P10828 1/20 0.36
CCND1 P24385 1/20 0.36

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
SCHEMBL2401270 0.96 HPGD (0.48) CDK4CDC25ACDC25BCDC25CMEN1
SCHEMBL3553179 0.88 CDC25A (0.51) CDK4CDC25ACDC25BCDC25CMEN1
SCHEMBL2403283 0.84 CDC25A (0.52) CDK4CDC25ACDC25BCDC25CMEN1
SCHEMBL2404462 0.84 CDC25A (0.45) CDK4CDC25ACDC25BCDC25CMEN1
SCHEMBL2398480 0.83 CDK4 (0.56) CDK4CDC25ACDC25BCDC25CMEN1
SCHEMBL2404197 0.80 CDC25A (0.44) CDK4CDC25ACDC25BCDC25CMEN1
SCHEMBL2399162 0.80 CDC25A (0.45) CDK4CDC25ACDC25BCDC25CMEN1
SCHEMBL2399469 0.79 HSD17B10 (0.43) CDK4CDC25ACDC25BCDC25CMEN1
SCHEMBL2399863 0.79 CDC25A (0.42) CDK4CDC25ACDC25BCDC25CMEN1
SCHEMBL2400569 0.79 POLB (0.41) CDC25ACDC25BCDC25CALDH1A1GLA

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 5 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
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 CDK4 72/4885CDC25A 2/4885CDC25B 3/4885

“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.