SCHEMBL2502716

SCHEMBL2502716

C[C@@H](Oc1cc(C=O)sc1C(=O)OC(C)(C)C)c1ccccc1Cl

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 17/20 0.44
PLK3 Q9H4B4 11/20 0.42
CDK2 P24941 1/20 0.42
IKBKE Q14164 1/20 0.42
CYP2C9 P11712 1/20 0.40
CYP3A4 P08684 1/20 0.38
PIK3CD O00329 1/20 0.36
NUAK1 O60285 1/20 0.36
PDGFRB P09619 1/20 0.36
PIM1 P11309 1/20 0.36
KDR P35968 1/20 0.36
NEK2 P51955 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
SCHEMBL5265312 0.85 PLK1 (0.47) PLK1PLK3CDK2IKBKECYP2C9
SCHEMBL2494456 0.81 PLK1 (0.41) PLK1PLK3CDK2IKBKECYP2C9
SCHEMBL577918 0.75 PLK1 (0.46) PLK1PLK3CDK2IKBKECYP2C9
SCHEMBL12319402 0.75 CNR1 (0.33)
SCHEMBL2500826 0.75 PLK1 (0.61) PLK1
SCHEMBL2502732 0.75 PLK1 (0.55) PLK1
SCHEMBL2504942 0.74 PLK1 (0.56) PLK1PLK3
SCHEMBL2500762 0.74 PLK1 (0.60) PLK1
SCHEMBL2504582 0.73 PLK1 (0.59) PLK1
SCHEMBL2500877 0.73 PLK1 (0.53) PLK1PLK3

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
EP-1813613-B1 NOVEL FUSED IMIDAZOLE DERIVATIVE MSD KK (JP) 2012-12-19 EP disclosed
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

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 4301/4885PLK3 3835/4885CDK2 1487/4885

“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.