SCHEMBL12550864

SCHEMBL12550864

CCc1c(-c2nnc(NCc3cccc(F)c3)o2)ccc(C)c1C

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CDC7 O00311 5/20 0.53
▸ CCNE1 P24864 5/20 0.53
▸ CDK2 P24941 5/20 0.53
▸ DBF4 Q9UBU7 5/20 0.53
▸ GSK3B P49841 1/20 0.48
▸ PDCD1 Q15116 9/20 0.39
▸ CD274 Q9NZQ7 9/20 0.39
▸ RXFP1 Q9HBX9 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ VSIR Q9H7M9 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
SCHEMBL1551968 0.90 CDC7 (0.52) CDC7CCNE1CDK2DBF4GSK3B
SCHEMBL12550860 0.76 CDC7 (0.47) CDC7CCNE1CDK2DBF4PDCD1
SCHEMBL1960827 0.76 CDC7 (0.57) CDC7CCNE1CDK2DBF4GSK3B
SCHEMBL1962537 0.76 PIK3CB (0.47) CDC7CCNE1CDK2DBF4PDCD1
SCHEMBL12506922 0.71 CDC7 (0.56) CDC7CCNE1CDK2DBF4GSK3B
SCHEMBL7946423 0.69 CDC7 (1.00) CDC7CCNE1CDK2DBF4GSK3B
SCHEMBL1958965 0.68 CDC7 (0.53) CDC7CCNE1CDK2DBF4GSK3B
SCHEMBL12086563 0.67 CDC7 (0.60) CDC7CCNE1CDK2DBF4GSK3B
SCHEMBL3491210 0.65 GSK3B (1.00) CDC7CCNE1CDK2DBF4GSK3B
SCHEMBL12507119 0.65 CDC7 (0.78) CDC7CCNE1CDK2DBF4GSK3B

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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