SCHEMBL16159779

SCHEMBL16159779

c1ccc2c(c1)-c1ccccc1C21c2cc(-c3cncc(-c4cncs4)c3)ccc2-c2ccc(-c3cncc(-c4cncs4)c3)cc21

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 11/20 0.40
DYRK1A Q13627 2/20 0.40
KDR P35968 1/20 0.37
DYRK2 Q92630 1/20 0.36
DYRK1B Q9Y463 1/20 0.36
PIM1 P11309 2/20 0.34
CHEK1 O14757 1/20 0.34
CHEK2 O96017 1/20 0.34
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
CD38 P28907 1/20 0.33
IDO1 P14902 1/20 0.33

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
SCHEMBL16159122 0.90 PDK2 (0.43) PDK2DYRK1AKDRDYRK2DYRK1B
SCHEMBL16159620 0.90 KDR (0.42) PDK2DYRK1AKDRDYRK2DYRK1B
SCHEMBL16159763 0.88 KDR (0.39) PDK2DYRK1AKDRDYRK2DYRK1B
SCHEMBL16159442 0.83 PIM1 (0.41) PDK2DYRK1AKDRDYRK2DYRK1B
SCHEMBL16159788 0.82 DYRK1A (0.39) PDK2DYRK1AKDRDYRK2DYRK1B
SCHEMBL16159234 0.80 PDK2 (0.38) PDK2DYRK1AKDRPIM1IDO1
SCHEMBL16159125 0.80 PDK2 (0.36) PDK2DYRK1AKDRPIM1CD38
SCHEMBL16159641 0.79 KDR (0.35) PDK2DYRK1AKDRPIM1CHEK1
SCHEMBL16159121 0.78 KDR (0.42) PDK2DYRK1AKDRDYRK2DYRK1B
SCHEMBL16159752 0.78 CYP2A6 (0.44) PDK2KDRCHEK2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160118598-A1 ELECTRON TRANSPORT MATERIAL AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME JNC CORPORATION (JP) 2016-04-28 US disclosed
US-20160118598-A1 ELECTRON TRANSPORT MATERIAL AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME JNC CORPORATION (JP) 2016-04-28 US disclosed
WO-2014163173-A1 ELECTRON TRANSPORT MATERIAL AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME JNC株式会社 (JP) 2014-10-09 WO 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-20160118598-A1 ELECTRON TRANSPORT MATERIAL AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME HVCN1, VDAC1, SLC26A3 PDK2 2391/4885DYRK1A 3602/4885KDR 1398/4885

“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.