SCHEMBL16159752

SCHEMBL16159752

c1ccc2c(c1)-c1ccccc1C21c2cc(-c3cncc(-c4nccs4)c3)ccc2-c2ccc(-c3cncc(-c4nccs4)c3)cc21

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.44
PDPK1 O15530 1/20 0.42
PDK2 Q15119 7/20 0.40
KDR P35968 1/20 0.38
CHEK2 O96017 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
LOXL2 Q9Y4K0 1/20 0.35
ADRB2 P07550 1/20 0.33
RAB9A P51151 1/20 0.33
MCL1 Q07820 1/20 0.33
HDAC2 Q92769 1/20 0.33
SYK P43405 1/20 0.32
AKT1 P31749 1/20 0.32

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
SCHEMBL16159744 0.89 PDPK1 (0.44) CYP2A6PDPK1PDK2KDRCHEK2
SCHEMBL16159492 0.88 PDPK1 (0.49) CYP2A6PDPK1PDK2KDRPTGDR2
SCHEMBL16159313 0.88 PDPK1 (0.51) CYP2A6PDPK1PDK2KDRPTGDR2
SCHEMBL16159143 0.84 RAB9A (0.40) CYP2A6PDPK1PDK2KDRCHEK2
SCHEMBL16159751 0.83 CYP2A6 (0.44) CYP2A6PDPK1PDK2KDRCHEK2
SCHEMBL16159447 0.79 RAB9A (0.43) PDPK1PDK2LOXL2RAB9ASYK
SCHEMBL16159541 0.78 PDPK1 (0.39) CYP2A6PDPK1PDK2KDRPTGDR2
SCHEMBL16159750 0.78 PDPK1 (0.36) CYP2A6PDPK1KDRCHEK2PTGDR2
SCHEMBL16159779 0.78 PDK2 (0.40) PDK2KDRCHEK2
SCHEMBL16159288 0.78 PDPK1 (0.40) CYP2A6PDPK1PDK2KDRCHEK2

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 CYP2A6 1206/4885PDPK1 4680/4885PDK2 2391/4885

“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.