SCHEMBL1958965

SCHEMBL1958965

Oc1ccc(-c2nnc(NCc3cccc(F)c3)o2)nc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDC7 O00311 7/20 0.53
▸ CCNE1 P24864 7/20 0.53
▸ CDK2 P24941 7/20 0.53
▸ DBF4 Q9UBU7 7/20 0.53
▸ GSK3B P49841 2/20 0.51
▸ EGFR P00533 1/20 0.40
▸ QPCT Q16769 2/20 0.39
▸ KDM5A P29375 1/20 0.39
▸ KDM4C Q9H3R0 1/20 0.39
▸ KDM5B Q9UGL1 1/20 0.39
▸ ADCY1 Q08828 1/20 0.38
▸ STIM1 Q13586 1/20 0.38
▸ ORAI1 Q96D31 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38

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
SCHEMBL12550890 0.86 CDC7 (0.49) CDC7CCNE1CDK2DBF4QPCT
SCHEMBL1960827 0.76 CDC7 (0.57) CDC7CCNE1CDK2DBF4GSK3B
SCHEMBL1551968 0.71 CDC7 (0.52) CDC7CCNE1CDK2DBF4GSK3B
SCHEMBL12550883 0.70 CDC7 (0.58) CDC7CCNE1CDK2DBF4GSK3B
SCHEMBL7946423 0.70 CDC7 (1.00) CDC7CCNE1CDK2DBF4GSK3B
SCHEMBL12506922 0.69 CDC7 (0.56) CDC7CCNE1CDK2DBF4GSK3B
SCHEMBL12550864 0.68 CDC7 (0.53) CDC7CCNE1CDK2DBF4GSK3B
SCHEMBL12507119 0.68 CDC7 (0.78) CDC7CCNE1CDK2DBF4GSK3B
SCHEMBL3491210 0.68 GSK3B (1.00) CDC7CCNE1CDK2DBF4GSK3B
SCHEMBL12086563 0.65 CDC7 (0.60) 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 4 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 claimed
US-20110139654-A1 OXADIAZOLE DERIVATIVES FOR THE TREATMENT OF DIABETES MERCK PATENT GESELLSCHAFT (DE) 2011-06-16 — — US claimed
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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