SCHEMBL14960645

SCHEMBL14960645

Cn1ccnc1-c1cccc(OC(F)(F)F)c1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 9/20 0.49
KCNH2 Q12809 4/20 0.46
SCN10A Q9Y5Y9 1/20 0.46
NPY5R Q15761 1/20 0.45
HSD11B1 P28845 1/20 0.45
CLK2 P49760 1/20 0.45
HASPIN Q8TF76 1/20 0.45
GRM5 P41594 1/20 0.44
PDE10A Q9Y233 1/20 0.44
CTSD P07339 1/20 0.42
BACE1 P56817 1/20 0.42
BACE2 Q9Y5Z0 1/20 0.42
SLC6A7 Q99884 1/20 0.42
USP7 Q93009 1/20 0.42

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
SCHEMBL27779432 0.85 DYRK1A (0.49) DYRK1AKCNH2SCN10ANPY5RCLK2
SCHEMBL16694014 0.85 KCNH2 (0.51) DYRK1AKCNH2SCN10ANPY5RCLK2
SCHEMBL12277379 0.85 DYRK1A (0.46) DYRK1AKCNH2SCN10ANPY5RHSD11B1
SCHEMBL12277808 0.85 DYRK1A (0.46) DYRK1AKCNH2SCN10ANPY5RHSD11B1
SCHEMBL23571873 0.84 F2 (0.49) DYRK1A
SCHEMBL27779024 0.84 DYRK1A (0.48) DYRK1AKCNH2SCN10ANPY5RCLK2
SCHEMBL5362756 0.83 DYRK1A (0.56) DYRK1A
SCHEMBL14960652 0.81 KDM4E (0.46) KCNH2SCN10AHSD11B1
SCHEMBL14412223 0.81 NMT1 (0.52)
SCHEMBL12832618 0.79 NPC1 (0.47)

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 DYRK1A 309/4885KCNH2 2013/4885SCN10A 4161/4885
US-20130231335-A1 INHIBITORS OF POLO-LIKE KINASE POLK, PLK1, POLR2E DYRK1A 320/4885KCNH2 1968/4885SCN10A 4144/4885
US-20150126502-A1 INHIBITORS OF POLO-LIKE KINASE POLK, PLK1, POLR2E DYRK1A 320/4885KCNH2 1968/4885SCN10A 4144/4885

“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.