SCHEMBL16159161

SCHEMBL16159161

c1ccc(-n2c3cc(-c4ccc(-c5cncs5)nc4)ccc3c3ccc(-c4ccc(-c5cncs5)nc4)cc32)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 4/20 0.45
KDR P35968 1/20 0.41
CD38 P28907 2/20 0.36
KDM4E B2RXH2 3/20 0.36
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
DYRK1A Q13627 2/20 0.35
DYRK2 Q92630 1/20 0.35
DYRK1B Q9Y463 1/20 0.35
MAPT P10636 1/20 0.34
AR P10275 1/20 0.33
HSD17B10 Q99714 1/20 0.33
KHK P50053 1/20 0.33
PIM3 Q86V86 1/20 0.33
PIM2 Q9P1W9 1/20 0.33
CHEK1 O14757 1/20 0.33
ACHE P22303 1/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 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
SCHEMBL16159213 0.88 PIM1 (0.39) PIM1KDRCD38KDM4EAR
SCHEMBL16159848 0.87 KDR (0.44) PIM1KDRCD38KDM4EATM
SCHEMBL16159084 0.84 KDR (0.42) PIM1KDRCD38KDM4EATM
SCHEMBL16159654 0.83 KDR (0.39) PIM1KDRCD38KDM4EATM
SCHEMBL16159179 0.82 PIM1 (0.39) PIM1KDRCD38KDM4EMAPT
SCHEMBL16159240 0.82 PIM1 (0.40) PIM1KDRCD38KDM4EATM
SCHEMBL16159369 0.80 PDPK1 (0.41) KDRKDM4EATML3MBTL1HSD17B10
SCHEMBL16159815 0.80 PIM1 (0.53) PIM1KDRCD38DYRK1ADYRK2
SCHEMBL9973717 0.80 METAP2 (0.45) PIM1PIM3PIM2CHEK1ALDH1A1
SCHEMBL17704333 0.79 PIM1 (0.49) PIM1KDRCD38DYRK1ADYRK2

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 PIM1 2642/4885KDR 1398/4885CD38 2387/4885

“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.