SCHEMBL14960644

SCHEMBL14960644

Cn1ccnc1-n1ccccc1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 3/20 0.41
▸ KDM4E B2RXH2 2/20 0.40
▸ CA12 O43570 2/20 0.38
▸ CA9 Q16790 2/20 0.38
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ CA14 Q9ULX7 1/20 0.38
▸ HRH4 Q9H3N8 1/20 0.38
▸ ADORA3 P0DMS8 1/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ MAT2A P31153 1/20 0.36
▸ CASP1 P29466 1/20 0.36
▸ CASP7 P55210 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ LPO P22079 1/20 0.35
▸ BRPF1 P55201 1/20 0.35
▸ KAT2B Q92831 1/20 0.35
▸ BRD9 Q9H8M2 1/20 0.35
▸ PDE10A Q9Y233 1/20 0.35

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
SCHEMBL12277293 0.78 BRD4 (0.36) BRD4KDM4ECA12CA9CA1
SCHEMBL16719314 0.70 LPO (0.44) BRD4KDM4EKMT2AMAT2AHSD17B10
SCHEMBL30052176 0.68 EP300 (0.50) KDM4ECA12CA9CA1CA2
SCHEMBL1885114 0.68 EP300 (0.50) KDM4ECA12CA9CA1CA2
SCHEMBL3561936 0.67 CA12 (0.50) KDM4ECA12CA9CA1CA2
SCHEMBL17685 0.67 — —
SCHEMBL8285964 0.67 CA12 (0.40) KDM4ECA12CA9CA1CA2
SCHEMBL9109135 0.67 PCSK9 (0.43) KDM4ECA12CA9CA1CA2
SCHEMBL31456683 0.67 CA12 (0.47) KDM4ECA12CA9CA1CA2
SCHEMBL9111534 0.66 CA12 (0.49) KDM4ECA12CA9CA1CA2

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 837/4885KDM4E 1910/4885CA12 4864/4885
US-20130231335-A1 INHIBITORS OF POLO-LIKE KINASE POLK, PLK1, POLR2E BRD4 842/4885KDM4E 1953/4885CA12 4864/4885
US-20150126502-A1 INHIBITORS OF POLO-LIKE KINASE POLK, PLK1, POLR2E BRD4 842/4885KDM4E 1953/4885CA12 4864/4885

“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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