SCHEMBL2440169

SCHEMBL2440169

CC(NC(=O)OC(C)(C)C)c1ccc(C(=O)Nc2ccncc2)cc1-c1cccc(C(=O)O)c1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 12/20 0.55
IKBKE Q14164 1/20 0.43
TBK1 Q9UHD2 1/20 0.43
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
SIRT2 Q8IXJ6 1/20 0.43
PDE4A P27815 1/20 0.43
PDE4B Q07343 1/20 0.43
PDE4C Q08493 1/20 0.43
PDE4D Q08499 1/20 0.43
NT5E P21589 1/20 0.43
NR1H4 Q96RI1 1/20 0.42
ITGB3 P05106 1/20 0.42
ITGB1 P05556 1/20 0.42
ITGAV P06756 1/20 0.42
ITGA2B P08514 1/20 0.42
ITGB5 P18084 1/20 0.42

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
SCHEMBL28832884 0.92 ROCK2 (0.53) ROCK2LMNAHTTSIRT2
SCHEMBL12330028 0.90 ROCK2 (0.48) ROCK2LMNAHTTPDE4APDE4B
SCHEMBL12330029 0.89 ROCK2 (0.49) ROCK2LMNAHTTNT5EITGB3
SCHEMBL12329645 0.88 ROCK2 (0.44) ROCK2LMNAHTTNR1H4ITGB3
SCHEMBL2441309 0.87 HTT (0.48) ROCK2LMNAHTTPDE4APDE4B
SCHEMBL2475618 0.87 ROCK2 (0.43) ROCK2LMNAHTTNR1H4ITGB3
SCHEMBL2442485 0.87 ROCK2 (0.59) ROCK2
SCHEMBL12330030 0.86 ROCK2 (0.46) ROCK2LMNAHTT
SCHEMBL2445126 0.82 ROCK2 (0.69) ROCK2IKBKETBK1SIRT2NT5E
SCHEMBL14245262 0.82 ROCK2 (0.45) ROCK2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8912209-B2 Rock inhibitors AMAKEM NV (BE) 2014-12-16 US disclosed
US-8912209-B2 Rock inhibitors AMAKEM NV (BE) 2014-12-16 US disclosed
US-8912209-B2 Rock inhibitors AMAKEM NV (BE) 2014-12-16 US disclosed
US-8815873-B2 Heterocyclic amides as rock inhibitors AMAKEM NV (BE) 2014-08-26 US disclosed
US-8815873-B2 Heterocyclic amides as rock inhibitors AMAKEM NV (BE) 2014-08-26 US disclosed
US-8815873-B2 Heterocyclic amides as rock inhibitors AMAKEM NV (BE) 2014-08-26 US disclosed
US-20130252975-A1 NOVEL ROCK INHIBITORS AMAKEM NV (BE) 2013-09-26 US disclosed
US-20130252975-A1 NOVEL ROCK INHIBITORS AMAKEM NV (BE) 2013-09-26 US disclosed
US-20130252975-A1 NOVEL ROCK INHIBITORS AMAKEM NV (BE) 2013-09-26 US disclosed
EP-2626348-A1 Heterocyclic amides as rock inhibitors Amakem NV (BE) 2013-08-14 EP disclosed
EP-2626348-A1 Heterocyclic amides as rock inhibitors Amakem NV (BE) 2013-08-14 EP disclosed
EP-2542528-B1 HETEROCYCLIC AMIDES AS ROCK INHIBITORS AMAKEM NV (BE) 2013-06-19 EP disclosed
EP-2542528-B1 HETEROCYCLIC AMIDES AS ROCK INHIBITORS AMAKEM NV (BE) 2013-06-19 EP disclosed
EP-2542528-A1 HETEROCYCLIC AMIDES AS ROCK INHIBITORS Amakem NV (BE) 2013-01-09 EP disclosed
US-20120322801-A1 HETEROCYCLIC AMIDES AS ROCK INHIBITORS AMAKEM NV (BE) 2012-12-20 US disclosed
US-20120322801-A1 HETEROCYCLIC AMIDES AS ROCK INHIBITORS AMAKEM NV (BE) 2012-12-20 US disclosed
US-20120322801-A1 HETEROCYCLIC AMIDES AS ROCK INHIBITORS AMAKEM NV (BE) 2012-12-20 US disclosed
WO-2011107608-A1 HETEROCYCLIC AMIDES AS ROCK INHIBITORS AMAKEM NV (BE) 2011-09-09 WO disclosed
WO-2011107608-A1 HETEROCYCLIC AMIDES AS ROCK INHIBITORS AMAKEM NV (BE) 2011-09-09 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 (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-20120322801-A1 HETEROCYCLIC AMIDES AS ROCK INHIBITORS ROCK1, ROCK2, CIT ROCK2 2/4885IKBKE 227/4885TBK1 186/4885
US-20130252975-A1 NOVEL ROCK INHIBITORS ROCK1, ROCK2, CIT ROCK2 2/4885IKBKE 403/4885TBK1 98/4885

“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.