SCHEMBL16159259

SCHEMBL16159259

c1ccc(-n2c3cc(-c4cccc(-c5cnco5)n4)ccc3c3c4ccccc4c(-c4cccc(-c5cnco5)n4)cc32)cc1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 2/20 0.37
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
MAPK8 P45983 3/20 0.33
PDK2 Q15119 1/20 0.33
PIK3R2 O00459 1/20 0.32
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
MAP4K4 O95819 1/20 0.30
IMPDH2 P12268 2/20 0.30
ADORA2A P29274 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
SCHEMBL16159241 0.88 ROCK2 (0.43) ROCK2CYP11B1CYP11B2MAPK8PDK2
SCHEMBL16159086 0.82 KMT2A (0.40) CYP11B1CYP11B2MAPK8PDK2MEN1
SCHEMBL16159855 0.82 MAPK8 (0.39) CYP11B1CYP11B2MAPK8PDK2MEN1
SCHEMBL16159252 0.82 ROCK2 (0.36) ROCK2CYP11B1CYP11B2MAPK8PDK2
SCHEMBL16159243 0.82 AR (0.37) PIK3R2IMPDH2
SCHEMBL16159613 0.80 IRAK4 (0.33) MAPK8PIK3R2
SCHEMBL16159705 0.80 CYP11B1 (0.36) CYP11B1CYP11B2MAPK8PDK2MEN1
SCHEMBL16159264 0.79 CYP11B1 (0.42) ROCK2CYP11B1CYP11B2PDK2PIK3R2
SCHEMBL17116473 0.78 IRAK4 (0.35) ROCK2CYP11B1CYP11B2MAP4K4
SCHEMBL20410194 0.78 SMN1; SMN2 (0.34)

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.