SCHEMBL12277293

SCHEMBL12277293

CC(C)n1ccnc1-n1ccccc1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 1/20 0.36
▸ CA12 O43570 1/20 0.35
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ CA14 Q9ULX7 1/20 0.35
▸ ADORA3 P0DMS8 1/20 0.34
▸ HRH4 Q9H3N8 1/20 0.33
▸ OPRK1 P41145 3/20 0.32
▸ OPRD1 P41143 3/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ F10 P00742 2/20 0.31
▸ PDE4A P27815 1/20 0.31
▸ PDE4B Q07343 1/20 0.31
▸ PDE4C Q08493 1/20 0.31
▸ PDE4D Q08499 1/20 0.31
▸ MET P08581 1/20 0.31
▸ ATP1A1 P05023 2/20 0.31
▸ ATP1B1 P05026 2/20 0.31
▸ ATP1A3 P13637 2/20 0.31

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
SCHEMBL14960644 0.78 BRD4 (0.41) BRD4CA12CA1CA2CA9
SCHEMBL1106502 0.70 MAPT (0.38) ADORA3
SCHEMBL12277792 0.68 RECQL (0.32) BRD4
SCHEMBL5813044 0.67 MGLL (0.48) KDM4EF10
SCHEMBL14525384 0.67 CA12 (0.37) CA12CA1CA2CA9CA14
SCHEMBL30154869 0.66 MAT2A (0.41) KDM4EPDE4APDE4BPDE4CPDE4D
SCHEMBL6910258 0.66 POLB (0.37) KDM4E
SCHEMBL998573 0.66 OPRK1 (0.54) BRD4ADORA3OPRK1OPRD1KDM4E
SCHEMBL9444404 0.65 BRD4 (0.47) BRD4KDM4EATP1A1ATP1B1ATP1A3
SCHEMBL30052176 0.65 EP300 (0.50) CA12CA1CA2CA9CA14

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-20150126502-A1 INHIBITORS OF POLO-LIKE KINASE ELAN PHARM INC (US) 2015-05-07 — — US disclosed
US-20130231335-A1 INHIBITORS OF POLO-LIKE KINASE ELAN PHARMACEUTICALS, INC. (US) 2013-09-05 — — US disclosed
US-8445503-B2 Inhibitors of polo-like kinase ELAN PHARMACEUTICALS, INC. (US) 2013-05-21 — — US disclosed
US-20110212942-A1 INHIBITORS OF POLO-LIKE KINASE ELAN PHARMACEUTICALS, INC. 2011-09-01 — — 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 (3 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-20110212942-A1 INHIBITORS OF POLO-LIKE KINASE PLK1, POLK, POLR2E BRD4 837/4885CA12 4864/4885CA1 4110/4885
US-20130231335-A1 INHIBITORS OF POLO-LIKE KINASE POLK, PLK1, POLR2E BRD4 842/4885CA12 4864/4885CA1 4132/4885
US-20150126502-A1 INHIBITORS OF POLO-LIKE KINASE POLK, PLK1, POLR2E BRD4 842/4885CA12 4864/4885CA1 4132/4885

“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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