SCHEMBL2500824

SCHEMBL2500824

C[C@@H](Oc1c(C(=O)O)sc(-c2cnc3ncccn23)c1C(C)(C)C)c1ccccc1Cl

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 16/20 0.44
PKM P14618 2/20 0.34
PLK3 Q9H4B4 2/20 0.33
CDK2 P24941 1/20 0.33
IKBKE Q14164 1/20 0.33
SCN1A P35498 1/20 0.33
SCN5A Q14524 1/20 0.33
SCN8A Q9UQD0 1/20 0.33

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
SCHEMBL2500761 0.86 PLK1 (0.43) PLK1PLK3CDK2IKBKE
SCHEMBL2504940 0.80 PLK1 (0.42) PLK1PLK3CDK2IKBKE
SCHEMBL14236931 0.79 PLK1 (0.66) PLK1
SCHEMBL2504581 0.79 PLK1 (0.45) PLK1PLK3CDK2IKBKE
SCHEMBL2496985 0.78 PLK1 (0.41) PLK1PLK3CDK2IKBKE
SCHEMBL2505199 0.77 PLK1 (0.59) PLK1
SCHEMBL2504952 0.76 PLK1 (0.41) PLK1PLK3CDK2IKBKE
SCHEMBL2500875 0.75 PLK1 (0.41) PLK1PLK3
SCHEMBL5264134 0.75 PLK1 (0.41) PLK1PLK3CDK2IKBKE
SCHEMBL2500826 0.74 PLK1 (0.61) PLK1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8030327-B2 3-[1-(2-chlorophenyl)ethoxy]-5-imidazo[1,2-a]pyridin-3-ylthiophene-2-carboxyamide; polo like kinase inhibitor; antitumor and anticarcinogenic agent; mitotic phase (M phase) of the cell cycle MDS K.K. (JP) 2011-10-04 US disclosed
US-20080103136-A1 Novel Fused Imidazole Derivative MSD K.K. (JP) 2008-05-01 US disclosed
EP-1813613-A1 NOVEL FUSED IMIDAZOLE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-08-01 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-20080103136-A1 Novel Fused Imidazole Derivative HRH4, H1-4, H1-3 PLK1 4301/4885PKM 3607/4885PLK3 3835/4885

“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.