SCHEMBL17116565

SCHEMBL17116565

N#Cc1cncc(-c2ccc3ccc4cccc5ccc2c3c45)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP11B1 P15538 2/20 0.40
▸ CYP11B2 P19099 2/20 0.40
▸ PRMT5 O14744 1/20 0.39
▸ WDR77 Q9BQA1 1/20 0.39
▸ ROCK2 O75116 1/20 0.39
▸ ROCK1 Q13464 1/20 0.39
▸ CDC42BPB Q9Y5S2 1/20 0.39
▸ CYP1A2 P05177 2/20 0.39
▸ METAP2 P50579 1/20 0.39
▸ MAP4K4 O95819 1/20 0.39
▸ CYP17A1 P05093 1/20 0.38
▸ LRRK2 Q5S007 1/20 0.37
▸ ADORA1 P30542 1/20 0.36
▸ RAF1 P04049 1/20 0.36
▸ CHRNB2 P17787 1/20 0.36
▸ CHRNA5 P30532 1/20 0.36
▸ CHRNA4 P43681 1/20 0.36
▸ ERBB2 P04626 1/20 0.36
▸ FYN P06241 1/20 0.36
▸ MAOA P21397 1/20 0.36

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
SCHEMBL17116071 0.94 CYP11B1 (0.44) CYP11B1CYP11B2PRMT5WDR77ROCK2
SCHEMBL17116548 0.93 CYP11B2 (0.44) CYP11B1CYP11B2PRMT5WDR77MAP4K4
SCHEMBL17116582 0.92 CYP11B1 (0.43) CYP11B1CYP11B2PRMT5WDR77MAP4K4
SCHEMBL18461487 0.89 CYP11B1 (0.45) CYP11B1CYP11B2PRMT5WDR77MAP4K4
SCHEMBL17116527 0.88 CYP11B1 (0.36) CYP11B1CYP11B2PRMT5WDR77ROCK2
SCHEMBL18461748 0.87 CYP11B2 (0.48) CYP11B1CYP11B2PRMT5WDR77ROCK2
SCHEMBL18461778 0.85 CYP11B1 (0.38) CYP11B1CYP11B2PRMT5WDR77ROCK2
SCHEMBL16335156 0.85 CYP1A2 (0.44) CYP11B1CYP11B2CYP1A2CYP17A1ERBB2
SCHEMBL29512050 0.85 CYP1A2 (0.44) CYP11B1CYP11B2CYP1A2CYP17A1ERBB2
SCHEMBL13170883 0.83 CYP1A2 (0.41) CYP1A2ERBB2FYNMAOAACHE

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-20170033293-A1 ELECTRON TRANSPORT MATERIAL AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME JNC CORPORATION (JP) 2017-02-02 — — US disclosed
WO-2015141608-A1 ELECTRON TRANSPORT MATERIAL AND ORGANIC ELECTROLUMINESCENT ELEMENT USING SAME JNC株式会社 2015-09-24 — — 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-20170033293-A1 ELECTRON TRANSPORT MATERIAL AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME SLC26A3, SLC9A1, HVCN1 CYP11B1 749/4885CYP11B2 823/4885PRMT5 2165/4885

“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.

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