SCHEMBL12550860

SCHEMBL12550860

CCc1c(-c2nnc(NCc3ccccc3)o2)ccc(O)c1C

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CDC7 O00311 11/20 0.47
▸ CCNE1 P24864 11/20 0.47
▸ CDK2 P24941 11/20 0.47
▸ DBF4 Q9UBU7 11/20 0.47
▸ QPCT Q16769 1/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.39
▸ EGFR P00533 1/20 0.39
▸ PDCD1 Q15116 5/20 0.39
▸ CD274 Q9NZQ7 5/20 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
SCHEMBL1551968 0.87 CDC7 (0.52) CDC7CCNE1CDK2DBF4RXFP1
SCHEMBL1962537 0.85 PIK3CB (0.47) CDC7CCNE1CDK2DBF4PDCD1
SCHEMBL1551977 0.73 KDM4E (0.41) EGFR
SCHEMBL16157018 0.71 CDC7 (0.61) CDC7CCNE1CDK2DBF4QPCT
SCHEMBL12550883 0.71 CDC7 (0.58) CDC7CCNE1CDK2DBF4QPCT
SCHEMBL1961463 0.69 MAPT (0.40) CDC7CCNE1CDK2DBF4PDCD1
SCHEMBL1960827 0.67 CDC7 (0.57) CDC7CCNE1CDK2DBF4QPCT
SCHEMBL8514369 0.67 KDM4E (0.53) RXFP1
SCHEMBL12550890 0.67 CDC7 (0.49) CDC7CCNE1CDK2DBF4QPCT
SCHEMBL21801477 0.65 CDC7 (0.48) CDC7CCNE1CDK2DBF4QPCT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8377975-B2 Oxadiazole derivatives for the treatment of diabetes MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-02-19 — — US disclosed
US-20110139654-A1 OXADIAZOLE DERIVATIVES FOR THE TREATMENT OF DIABETES MERCK PATENT GESELLSCHAFT (DE) 2011-06-16 — — 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-20110139654-A1 OXADIAZOLE DERIVATIVES FOR THE TREATMENT OF DIABETES PFKL, RXFP3, OXA1L CDC7 967/4885CCNE1 685/4885CDK2 548/4885

“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.

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