SCHEMBL16159376

SCHEMBL16159376

c1ccc(-n2c3cc(-c4ccc(-c5nccs5)nc4)ccc3c3c4ccccc4c(-c4ccc(-c5nccs5)nc4)cc32)cc1

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.34
KDR P35968 1/20 0.34
MCL1 Q07820 1/20 0.34
CHEK1 O14757 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.32
RAB9A P51151 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
PDE11A Q9HCR9 1/20 0.32
HSD17B1 P14061 1/20 0.31
HSD17B2 P37059 1/20 0.31
EGLN1 Q9GZT9 1/20 0.31
CHEK2 O96017 1/20 0.31
SLC6A9 P48067 1/20 0.31
HDAC2 Q92769 1/20 0.30

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
SCHEMBL16159369 0.88 PDPK1 (0.41) PDPK1KDRMCL1CHEK1PTGDR2
SCHEMBL16159278 0.86 PDPK1 (0.43) PDPK1KDRCHEK1PTGDR2MEN1
SCHEMBL16159290 0.85 PDPK1 (0.42) PDPK1KDRCHEK1PTGDR2MEN1
SCHEMBL16159874 0.84 PDPK1 (0.36) PDPK1KDRMCL1CHEK1PTGDR2
SCHEMBL16159213 0.84 PIM1 (0.39) KDRCHEK1KDM4EALDH1A1CHEK2
SCHEMBL16159664 0.82 RAB9A (0.34) PDPK1CHEK1RAB9AMEN1KMT2A
SCHEMBL12554398 0.82 CYP11B1 (0.39) CHEK1EGLN1
SCHEMBL16159377 0.80 MAPK8 (0.36) MCL1
SCHEMBL20410209 0.79
SCHEMBL16159252 0.78 ROCK2 (0.36) CHEK1RAB9AKDM4EALDH1A1

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 PDPK1 4680/4885KDR 1398/4885MCL1 3753/4885

“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.