SCHEMBL16978554

SCHEMBL16978554

c1ccc(-c2cccc(-c3ccnc(-n4c5ccccc5c5c6sc7ccccc7c6ccc54)n3)c2)cc1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 1/20 0.34
PIK3CA P42336 1/20 0.31
LIMK1 P53667 2/20 0.31
PDE10A Q9Y233 1/20 0.31
TNKS O95271 1/20 0.30
TNKS2 Q9H2K2 1/20 0.30
ALOX5 P09917 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
SCHEMBL14653417 0.99 ROCK1 (0.35) ROCK1PIK3CALIMK1PDE10AALOX5
SCHEMBL15615555 0.97 ROCK1 (0.35) ROCK1LIMK1PDE10AALOX5
SCHEMBL14653494 0.95 ROCK1 (0.37) ROCK1PIK3CALIMK1PDE10AALOX5
SCHEMBL14653416 0.95 ROCK1 (0.35) ROCK1PIK3CALIMK1PDE10AALOX5
SCHEMBL16773367 0.93 ROCK1 (0.33) ROCK1LIMK1PDE10A
SCHEMBL16406778 0.92 ALOX5 (0.40) PIK3CAALOX5
SCHEMBL16406788 0.92 ROCK1 (0.32) ROCK1
SCHEMBL15614154 0.91 ROCK1 (0.32) ROCK1
SCHEMBL31820 0.91 ROCK1 (0.39) ROCK1LIMK1PDE10ATNKSTNKS2
SCHEMBL14979106 0.91 PIK3CA (0.31) PIK3CAPDE10A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170222159-A1 ELECTRON BUFFERING MATERIAL AND ORGANIC ELECTROLUMINESCENT DEVICE ROHM & HAAS ELECT MATERIALS KOREA LTD (KR) 2017-08-03 US disclosed
US-20170222159-A1 ELECTRON BUFFERING MATERIAL AND ORGANIC ELECTROLUMINESCENT DEVICE ROHM & HAAS ELECT MATERIALS KOREA LTD (KR) 2017-08-03 US disclosed
US-20170207398-A1 ELECTRON TRANSPORT MATERIAL AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME ROHM & HAAS ELECT MATERIALS KOREA LTD (KR) 2017-07-20 US disclosed
US-20170207398-A1 ELECTRON TRANSPORT MATERIAL AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME ROHM & HAAS ELECT MATERIALS KOREA LTD (KR) 2017-07-20 US disclosed
US-20150218441-A1 NOVEL COMBINATION OF A HOST COMPOUND AND A DOPANT COMPOUND AND AN ORGANIC ELECTROLUMINESCENCE DEVICE COMPRISING THE SAME ROHM AND HAAS ELECTRONIC MATEIRALS KOREA LTD (KR) 2015-08-06 US disclosed
US-20150218441-A1 NOVEL COMBINATION OF A HOST COMPOUND AND A DOPANT COMPOUND AND AN ORGANIC ELECTROLUMINESCENCE DEVICE COMPRISING THE SAME ROHM AND HAAS ELECTRONIC MATEIRALS KOREA LTD (KR) 2015-08-06 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 (2 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-20170207398-A1 ELECTRON TRANSPORT MATERIAL AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME EML4, MT-ND4, SLCO4C1 ROCK1 4160/4885PIK3CA 3860/4885LIMK1 1104/4885
US-20170222159-A1 ELECTRON BUFFERING MATERIAL AND ORGANIC ELECTROLUMINESCENT DEVICE SLC9A2, SLC39A14, MCU ROCK1 3983/4885PIK3CA 4861/4885LIMK1 684/4885

“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.