SCHEMBL3104497

SCHEMBL3104497

O=C(N[C@H](CO)Cc1c[nH]c2ccccc12)c1ccc(-c2ccncc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 3/20 0.64
PRKACA P17612 3/20 0.64
IRAK1 P51617 3/20 0.64
PRKX P51817 3/20 0.64
ROCK1 Q13464 3/20 0.64
PRKG1 Q13976 3/20 0.64
PKN2 Q16513 3/20 0.64
CLK4 Q9HAZ1 3/20 0.64
GSK3B P49841 3/20 0.64
RPS6KA5 O75582 2/20 0.64
MAPK1 P28482 2/20 0.64
GSK3A P49840 2/20 0.64
SGK2 Q9HBY8 2/20 0.64
RPS6KA4 O75676 1/20 0.64
RPS6KB1 P23443 2/20 0.55
PRKG2 Q13237 2/20 0.55
LIMK1 P53667 1/20 0.55
HIPK4 Q8NE63 1/20 0.55
AURKB Q96GD4 1/20 0.55
CSNK1G1 Q9HCP0 1/20 0.55

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
SCHEMBL3109179 1.00 ROCK2 (0.64) ROCK2PRKACAIRAK1PRKXROCK1
SCHEMBL13902824 0.86 MEN1 (0.61) ECE1HDAC3HDAC4HDAC1HDAC7
SCHEMBL5155561 0.85 HPGDS (0.54) ECE1HPGDSCDK4CCND1HDAC3
SCHEMBL5154823 0.83 KMT2A (0.59) HPGDSCDK4CCND1HDAC3HDAC4
SCHEMBL5152568 0.82 CDK4 (0.53) HPGDSCDK4CCND1HDAC3HDAC4
SCHEMBL5151665 0.82 HPGDS (0.58) ECE1HPGDSCDK4CCND1HDAC3
SCHEMBL4603049 0.81 ROCK2 (0.48) ROCK2PRKACAIRAK1PRKXROCK1
SCHEMBL5151707 0.81 HDAC3 (0.54) HPGDSCDK4CCND1HDAC3HDAC4
SCHEMBL4601988 0.81 CDK4 (0.57) HPGDSCDK4CCND1HDAC3HDAC4
SCHEMBL16599842 0.80 HDAC8 (0.75) HDAC3HDAC4HDAC1HDAC7HDAC2

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 9 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-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 ROCK2 3/4885PRKACA 382/4885IRAK1 1990/4885
US-20150105386-A1 4-(4-PYRIDINYL)-BENZAMIDES AND THEIR USE AS ROCK ACTIVITY MODULATORS GABRR3, ROCK1, ROCK2 ROCK2 3/4885PRKACA 379/4885IRAK1 1989/4885
US-20100273828-A1 4-(4-PYRIDINYL)-BENZAMIDES AND THEIR USE AS ROCK ACTIVITY MODULATORS GABRR3, ROCK1, ROCK2 ROCK2 3/4885PRKACA 382/4885IRAK1 1990/4885

“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.