SCHEMBL2494455

SCHEMBL2494455

COC#Cc1sc(C(=O)O)c(O[C@H](C)c2ccccc2Cl)c1C(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 12/20 0.35
PLK3 Q9H4B4 8/20 0.35
IKBKE Q14164 2/20 0.35
CDK2 P24941 1/20 0.35
CYP2C9 P11712 1/20 0.32
MAPK14 Q16539 1/20 0.31
OPRM1 P35372 1/20 0.30
SCN1A P35498 1/20 0.30
SCN5A Q14524 1/20 0.30
SCN8A Q9UQD0 1/20 0.30
CYP3A4 P08684 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL2502714 0.79 PLK1 (0.35) PLK1PLK3IKBKECDK2CYP2C9
SCHEMBL2505508 0.72 PLK1 (0.35) PLK1PLK3IKBKECDK2CYP2C9
SCHEMBL2500942 0.71 PLK1 (0.36) PLK1PLK3IKBKECDK2CYP2C9
SCHEMBL2505506 0.71 PLK1 (0.36) PLK1PLK3IKBKECDK2CYP2C9
SCHEMBL5249932 0.71 PLK1 (0.39) PLK1PLK3IKBKECDK2CYP2C9
SCHEMBL5141391 0.71 PLK1 (0.39) PLK1PLK3IKBKECDK2CYP2C9
SCHEMBL5264134 0.70 PLK1 (0.41) PLK1PLK3IKBKECDK2
SCHEMBL2494456 0.70 PLK1 (0.41) PLK1PLK3IKBKECDK2CYP2C9
SCHEMBL2500824 0.69 PLK1 (0.44) PLK1PLK3IKBKECDK2SCN1A
SCHEMBL2504940 0.69 PLK1 (0.42) PLK1PLK3IKBKECDK2

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 4 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
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 4301/4885PLK3 3835/4885IKBKE 2757/4885

“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.