SCHEMBL2401463

SCHEMBL2401463

COc1ccc(CNC(=O)c2nc3c(s2)C(=O)C=C(NCCCN(C)CCCNC2=CC(=O)c4sc(C(=O)NCc5ccc(OC)cc5)nc4C2=O)C3=O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 1/20 0.43
CDC25A P30304 1/20 0.42
CDC25B P30305 1/20 0.42
CDC25C P30307 1/20 0.42
MAPT P10636 2/20 0.41
ACKR3 P25106 2/20 0.41
CYP1A2 P05177 3/20 0.41
CYP3A4 P08684 3/20 0.41
CYP2C9 P11712 3/20 0.41
CYP2C19 P33261 3/20 0.41
POLB P06746 3/20 0.41
ALDH1A1 P00352 2/20 0.40
RAB9A P51151 1/20 0.40
ROCK2 O75116 1/20 0.40
ROCK1 Q13464 1/20 0.40
TP53 P04637 2/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 1/20 0.39
MDM2 Q00987 1/20 0.39
NQO1 P15559 1/20 0.39

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
SCHEMBL2400913 0.96 CDK4 (0.50) CDK4CDC25ACDC25BCDC25CMAPT
SCHEMBL2400025 0.88 CDK4 (0.48) CDK4CDC25ACDC25BCDC25CMAPT
SCHEMBL4345126 0.86 CDK4 (0.33) CDK4CDC25ACDC25BCDC25CMAPT
SCHEMBL2398480 0.84 CDK4 (0.56) CDK4CDC25ACDC25BCDC25CMAPT
SCHEMBL2401270 0.80 HPGD (0.48) CDK4CDC25ACDC25BCDC25CMAPT
SCHEMBL3542705 0.80 CDC25A (0.57) CDK4CDC25ACDC25BCDC25CMAPT
SCHEMBL2403315 0.79 CDC25A (0.59) CDK4CDC25ACDC25BCDC25CMAPT
SCHEMBL3547884 0.78 CDC25A (0.55) CDK4CDC25ACDC25BCDC25CMAPT
SCHEMBL2398451 0.77 CDK4 (0.48) CDK4CDC25ACDC25BCDC25CCYP1A2
SCHEMBL2404183 0.77 CDC25A (0.53) CDK4CDC25ACDC25BCDC25CMAPT

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.