SCHEMBL3107205

SCHEMBL3107205

O=C(NC(c1ccccc1)c1ccc(Cl)cc1)c1ccc(-c2ccncc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.67
SLC6A9 P48067 3/20 0.65
ROCK1 Q13464 8/20 0.64
CLK4 Q9HAZ1 8/20 0.64
GSK3B P49841 7/20 0.64
PRKG1 Q13976 7/20 0.64
PKN2 Q16513 7/20 0.64
PRKG2 Q13237 6/20 0.64
AKT1 P31749 6/20 0.64
RPS6KA5 O75582 6/20 0.64
GSK3A P49840 6/20 0.64
ROCK2 O75116 6/20 0.64
PRKACA P17612 6/20 0.64
PRKX P51817 6/20 0.64
PRKCD Q05655 5/20 0.64
RPS6KB1 P23443 5/20 0.64
MAPK1 P28482 5/20 0.64
SGK2 Q9HBY8 5/20 0.64
MAP4K4 O95819 4/20 0.64
CDC42BPA Q5VT25 4/20 0.64

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
SCHEMBL28466269 0.86 HPGDS (0.72) HPGDSSLC6A9ALDH1A1SLC6A5CYP3A4
SCHEMBL30530178 0.84 SLC6A9 (0.71) HPGDSSLC6A9ALDH1A1SLC6A5CYP3A4
SCHEMBL11626488 0.83 ALDH1A1 (0.74) HPGDSSLC6A9ROCK1CLK4GSK3B
SCHEMBL28466273 0.83 SLC6A9 (0.68) HPGDSSLC6A9SLC6A5S1PR3MEN1
SCHEMBL3109453 0.81 ROCK1 (0.75) ROCK1CLK4GSK3BPRKG1PKN2
SCHEMBL27731701 0.79 HPGDS (0.62) HPGDSSLC6A9ROCK1CLK4GSK3B
SCHEMBL2008516 0.79 SLC6A9 (1.00) SLC6A9ALDH1A1SLC6A5MEN1KMT2A
SCHEMBL14082496 0.78 HPGDS (0.75) HPGDSROCK1CLK4GSK3BPRKG1
SCHEMBL3109948 0.78 ROCK1 (1.00) HPGDSROCK1CLK4GSK3BPRKG1
SCHEMBL3093010 0.78 ROCK1 (1.00) HPGDSROCK1CLK4GSK3BPRKG1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101903349-B 4- (4-pyridinyl) -benzamides and their use as ROCK activity modulators ABBOTT GMBH & CO KG 2014-01-08 CN claimed
US-8445686-B2 4-(4-pyridinyl)-benzamides and their use as rock activity modulators ABBVIE INC. (US) 2013-05-21 US claimed
US-20150105386-A1 4-(4-PYRIDINYL)-BENZAMIDES AND THEIR USE AS ROCK ACTIVITY MODULATORS ABBVIE DEUTSCHLAND (DE) 2015-04-16 US disclosed
US-8895749-B2 4-(4-pyridinyl)-benzamides and their use as rock activity modulators ABBVIE INC. (US) 2014-11-25 US disclosed
CN-103896831-A 4-(4-pyridinyl)-benzamides and their use as rock activity modulators ABBVIE DEUTSCHLAND 2014-07-02 CN disclosed
US-20130310378-A1 4-(4-PYRIDINYL)-BENZAMIDES AND THEIR USE AS ROCK ACTIVITY MODULATORS ABBVIE INC. (US) 2013-11-21 US disclosed
US-8445686-B2 4-(4-pyridinyl)-benzamides and their use as rock activity modulators ABBVIE INC. (US) 2013-05-21 US disclosed
US-20100273828-A1 4-(4-PYRIDINYL)-BENZAMIDES AND THEIR USE AS ROCK ACTIVITY MODULATORS ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2010-10-28 US disclosed
EP-2193119-A1 4-(4-PYRIDINYL)-BENZAMIDES AND THEIR USE AS ROCK ACTIVITY MODULATORS Abbott GmbH & Co. KG (DE) 2010-06-09 EP disclosed
WO-2009027392-A1 4-(4-PYRIDINYL)-BENZAMIDES AND THEIR USE AS ROCK ACTIVITY MODULATORS ABBOTT GMBH & CO. KG (DE) 2009-03-05 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 (3 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-20130310378-A1 4-(4-PYRIDINYL)-BENZAMIDES AND THEIR USE AS ROCK ACTIVITY MODULATORS GABRR3, ROCK1, ROCK2 HPGDS 418/4885SLC6A9 3503/4885ROCK1 2/4885
US-20150105386-A1 4-(4-PYRIDINYL)-BENZAMIDES AND THEIR USE AS ROCK ACTIVITY MODULATORS GABRR3, ROCK1, ROCK2 HPGDS 417/4885SLC6A9 3473/4885ROCK1 2/4885
US-20100273828-A1 4-(4-PYRIDINYL)-BENZAMIDES AND THEIR USE AS ROCK ACTIVITY MODULATORS GABRR3, ROCK1, ROCK2 HPGDS 418/4885SLC6A9 3503/4885ROCK1 2/4885

“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.