SCHEMBL16159252

SCHEMBL16159252

c1ccc(-n2c3cc(-c4ccc(-c5cnco5)nc4)ccc3c3c4ccccc4c(-c4ccc(-c5cnco5)nc4)cc32)cc1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.36
MAPK8 P45983 3/20 0.35
CYP4F2 P78329 2/20 0.34
CYP4A11 Q02928 2/20 0.34
PDK2 Q15119 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
KDM4E B2RXH2 1/20 0.31
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
PKM P14618 1/20 0.31
RAB9A P51151 1/20 0.31
IMPDH2 P12268 2/20 0.30
PIK3R2 O00459 1/20 0.30
CHEK1 O14757 1/20 0.30
ACHE P22303 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
SCHEMBL16159162 0.88 ROCK2 (0.42) ROCK2MAPK8CYP4F2CYP4A11PDK2
SCHEMBL16159855 0.86 MAPK8 (0.39) MAPK8PDK2CYP11B1CYP11B2KDM4E
SCHEMBL16159086 0.85 KMT2A (0.40) MAPK8PDK2CYP11B1CYP11B2KDM4E
SCHEMBL16159705 0.84 CYP11B1 (0.36) MAPK8PDK2CYP11B1CYP11B2KDM4E
SCHEMBL16159377 0.82 MAPK8 (0.36) MAPK8
SCHEMBL16159259 0.82 ROCK2 (0.37) ROCK2MAPK8PDK2CYP11B1CYP11B2
SCHEMBL16159213 0.82 PIM1 (0.39) KDM4ENPC1ALDH1A1LMNAIMPDH2
SCHEMBL12554398 0.82 CYP11B1 (0.39) CYP11B1CHEK1
SCHEMBL20410200 0.79 SMN1; SMN2 (0.34) NPC1RAB9A
SCHEMBL16159376 0.78 PDPK1 (0.34) KDM4EALDH1A1RAB9ACHEK1

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 3962/4885MAPK8 2889/4885CYP4F2 949/4885

“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.