SCHEMBL9883272

SCHEMBL9883272

NCCC(C(=O)Nc1ccc2[nH]ncc2c1)c1ccsc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 12/20 0.69
▸ ROCK1 Q13464 11/20 0.69
▸ RPS6KB1 P23443 3/20 0.69
▸ CLK4 Q9HAZ1 3/20 0.69
▸ SGK2 Q9HBY8 3/20 0.69
▸ PRKD3 O94806 2/20 0.69
▸ MAP4K4 O95819 2/20 0.69
▸ CLK2 P49760 2/20 0.69
▸ DYRK1A Q13627 2/20 0.69
▸ PRKG1 Q13976 2/20 0.69
▸ PRKD2 Q9BZL6 2/20 0.69
▸ STK17A Q9UEE5 2/20 0.69
▸ RPS6KA5 O75582 2/20 0.69
▸ PRKX P51817 2/20 0.69
▸ PRKG2 Q13237 2/20 0.69
▸ CDC7 O00311 1/20 0.69
▸ PLK4 O00444 1/20 0.69
▸ CHEK1 O14757 1/20 0.69
▸ DCLK1 O15075 1/20 0.69
▸ MAPK13 O15264 1/20 0.69

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
SCHEMBL29431387 0.85 ROCK2 (0.74) ROCK2ROCK1RPS6KB1CLK4SGK2
SCHEMBL9883270 0.85 ROCK2 (0.74) ROCK2ROCK1RPS6KB1CLK4SGK2
SCHEMBL1060766 0.82 ROCK2 (1.00) ROCK2ROCK1RPS6KB1CLK4SGK2
SCHEMBL13074854 0.79 ROCK2 (0.61) ROCK2ROCK1RPS6KB1CLK4SGK2
SCHEMBL12824529 0.78 ROCK2 (0.64) ROCK2ROCK1RPS6KB1CLK4SGK2
SCHEMBL9883150 0.78 ROCK2 (0.50) ROCK2ROCK1RPS6KB1CLK4SGK2
SCHEMBL14862738 0.76 PLK4 (0.56) ROCK2ROCK1RPS6KB1CLK4SGK2
SCHEMBL2564063 0.73 NPC1 (0.68) ROCK2ROCK1RPS6KB1CLK4SGK2
SCHEMBL9883271 0.73 ROCK2 (0.69) ROCK2ROCK1RPS6KB1CLK4SGK2
SCHEMBL12824530 0.72 ROCK2 (0.67) ROCK2ROCK1RPS6KB1CLK4SGK2

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-20120135984-A1 DUAL-ACTION INHBITORS AND METHODS OF USING SAME AERIE PHARMACEUTICALS, INC. 2012-05-31 — — US disclosed
WO-2010127330-A1 DUAL-ACTION INHIBITORS AND METHODS OF USING SAME AERIE PHAMACEUTICALS, INC. (US) 2010-11-04 — — WO disclosed
WO-2010127329-A1 DUAL-ACTION INHIBITORS AND METHODS OF USING SAME AERIE PHARMACEUTICALS, INC. (US) 2010-11-04 — — 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-20120135984-A1 DUAL-ACTION INHBITORS AND METHODS OF USING SAME SLC6A2, ROCK2, SLC6A4 ROCK2 2/4885ROCK1 6/4885RPS6KB1 1730/4885

“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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