SCHEMBL14960652

SCHEMBL14960652

Cn1ccnc1-c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.46
NPC1 O15118 1/20 0.46
ALDH1A1 P00352 1/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
RAB9A P51151 1/20 0.46
SCN5A Q14524 9/20 0.46
TDP2 O95551 1/20 0.44
NISCH Q9Y2I1 1/20 0.43
ATP1A1 P05023 1/20 0.42
ATP1B1 P05026 1/20 0.42
ATP1A3 P13637 1/20 0.42
ATP1B2 P14415 1/20 0.42
ATP1A2 P50993 1/20 0.42
ATP1B3 P54709 1/20 0.42
FXYD2 P54710 1/20 0.42
ATP1A4 Q13733 1/20 0.42
CACNA2D1 P54289 1/20 0.42
KCNH2 Q12809 2/20 0.41
SCN10A Q9Y5Y9 2/20 0.41

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
SCHEMBL12277365 0.83 HSD11B1 (0.46) KDM4ENPC1ALDH1A1GAAMAPT
SCHEMBL27800423 0.82 KDM4E (0.45) KDM4ENPC1ALDH1A1GAAMAPT
SCHEMBL14960645 0.81 DYRK1A (0.49) KCNH2SCN10AHSD11B1
SCHEMBL14675684 0.81 CLK4 (0.48) KDM4ENPC1ALDH1A1GAAMAPT
SCHEMBL7845612 0.79 KIF11 (0.47) KDM4EGAAMAPTTDP2KCNH2
SCHEMBL3462133 0.77 HDAC4 (0.46) KDM4ENPC1ALDH1A1GAAMAPT
SCHEMBL10194263 0.76 KDM4E (0.51) KDM4ENPC1ALDH1A1GAARAB9A
SCHEMBL23407635 0.76 GRM2 (0.45) KDM4ENPC1ALDH1A1GAAMAPT
SCHEMBL10227692 0.74 HDAC4 (0.42) KDM4ENPC1GAARAB9ATDP2
SCHEMBL10176272 0.74 KIF11 (0.47) KDM4ENPC1ALDH1A1GAAMAPT

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 KDM4E 1910/4885NPC1 2988/4885ALDH1A1 4226/4885
US-20130231335-A1 INHIBITORS OF POLO-LIKE KINASE POLK, PLK1, POLR2E KDM4E 1953/4885NPC1 2992/4885ALDH1A1 4256/4885
US-20150126502-A1 INHIBITORS OF POLO-LIKE KINASE POLK, PLK1, POLR2E KDM4E 1953/4885NPC1 2992/4885ALDH1A1 4256/4885

“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.