SCHEMBL17704392

SCHEMBL17704392

c1cc(-c2cnco2)nc(-c2c3ccccc3c(-c3cccc(-c4cnco4)n3)c3ccccc23)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 2/20 0.56
CYP11B1 P15538 1/20 0.44
CYP11B2 P19099 1/20 0.44
PDK2 Q15119 2/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
MAP4K4 O95819 1/20 0.40
PTK2 Q05397 1/20 0.39
ADORA2A P29274 2/20 0.38
LMNA P02545 2/20 0.37
PKM P14618 2/20 0.37
NOTUM Q6P988 1/20 0.37
GAA P10253 1/20 0.37
KEAP1 Q14145 1/20 0.34
RAB9A P51151 2/20 0.33
POLB P06746 1/20 0.33
ADORA1 P30542 1/20 0.33
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 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
SCHEMBL16159578 0.98 ROCK2 (0.55) ROCK2CYP11B1CYP11B2PDK2KMT2A
SCHEMBL16159219 0.89 ROCK2 (0.50) ROCK2CYP11B1CYP11B2PDK2KMT2A
SCHEMBL2150755 0.87 ROCK2 (0.69) ROCK2CYP11B1CYP11B2PDK2KMT2A
SCHEMBL17704395 0.86 ROCK2 (0.48) ROCK2CYP11B1CYP11B2PDK2KMT2A
SCHEMBL17704402 0.86 ROCK2 (0.48) ROCK2CYP11B1CYP11B2PDK2KMT2A
SCHEMBL16159258 0.86 ROCK2 (0.56) ROCK2CYP11B1CYP11B2PDK2KMT2A
SCHEMBL2151325 0.85 ROCK2 (0.72) ROCK2CYP11B1CYP11B2PDK2KMT2A
SCHEMBL17704401 0.85 ROCK2 (0.47) ROCK2CYP11B1CYP11B2PDK2KMT2A
SCHEMBL16159546 0.85 ROCK2 (0.55) ROCK2CYP11B1CYP11B2PDK2KMT2A
SCHEMBL17704396 0.84 CYP11B1 (0.58) ROCK2CYP11B1CYP11B2PDK2KMT2A

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 2 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

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.