SCHEMBL16159258

SCHEMBL16159258

c1cc(-c2cnco2)nc(-c2ccc(-c3cccc(-c4cnco4)n3)c3ccccc23)c1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 2/20 0.56
CYP11B1 P15538 1/20 0.44
CYP11B2 P19099 1/20 0.44
PDK2 Q15119 2/20 0.42
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
MAP4K4 O95819 1/20 0.40
PTK2 Q05397 1/20 0.39
ADORA2A P29274 1/20 0.38
NOTUM Q6P988 1/20 0.37
GAA P10253 1/20 0.37
LMNA P02545 1/20 0.37
PKM P14618 1/20 0.37
IMPDH2 P12268 4/20 0.36
IMPDH1 P20839 1/20 0.36
ATR Q13535 1/20 0.34
KEAP1 Q14145 1/20 0.34
ADRA1A P35348 1/20 0.34

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
SCHEMBL16159546 0.98 ROCK2 (0.55) ROCK2CYP11B1CYP11B2PDK2MEN1
SCHEMBL16159470 0.87 ROCK2 (0.51) ROCK2CYP11B1CYP11B2PDK2MEN1
SCHEMBL2150755 0.87 ROCK2 (0.69) ROCK2CYP11B1CYP11B2PDK2MEN1
SCHEMBL17704392 0.86 ROCK2 (0.56) ROCK2CYP11B1CYP11B2PDK2MEN1
SCHEMBL2151325 0.85 ROCK2 (0.72) ROCK2CYP11B1CYP11B2PDK2MEN1
SCHEMBL16159578 0.85 ROCK2 (0.55) ROCK2CYP11B1CYP11B2PDK2MEN1
SCHEMBL16159497 0.80 ROCK2 (0.54) ROCK2CYP11B1CYP11B2PDK2MEN1
SCHEMBL16159219 0.80 ROCK2 (0.50) ROCK2CYP11B1CYP11B2PDK2MEN1
SCHEMBL26259975 0.79 CYP11B1 (0.48) CYP11B1CYP11B2PDK2MEN1KMT2A
SCHEMBL10142588 0.76 ROCK2 (0.60) ROCK2CYP11B1CYP11B2PDK2MEN1

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 ROCK2 3962/4885CYP11B1 312/4885CYP11B2 420/4885

“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.