SCHEMBL14245262

SCHEMBL14245262

COC(=O)c1cc(-c2cc(C(=O)Nc3ccncc3)ccc2C(C)NC(=O)OC(C)(C)C)c[nH]1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 10/20 0.45
ABL1 P00519 4/20 0.40
ALDH1A1 P00352 3/20 0.39
MEN1 O00255 1/20 0.39
PKM P14618 1/20 0.39
KMT2A Q03164 1/20 0.39
MAPK1 P28482 2/20 0.38
LMNA P02545 1/20 0.38
CYP17A1 P05093 1/20 0.38
NAMPT P43490 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
TSHR P16473 1/20 0.38
CYP2C19 P33261 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ROCK1 Q13464 4/20 0.38

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
SCHEMBL12330030 0.92 ROCK2 (0.46) ROCK2ABL1ALDH1A1MEN1PKM
SCHEMBL14245038 0.84 ROCK2 (0.64) ROCK2ABL1ALDH1A1MEN1PKM
SCHEMBL28832884 0.84 ROCK2 (0.53) ROCK2ABL1ALDH1A1MEN1PKM
SCHEMBL2440169 0.82 ROCK2 (0.55) ROCK2LMNA
SCHEMBL12330028 0.81 ROCK2 (0.48) ROCK2ALDH1A1MAPK1LMNACYP17A1
SCHEMBL14245264 0.81 ROCK2 (0.51) ROCK2ABL1ALDH1A1MEN1PKM
SCHEMBL12330029 0.80 ROCK2 (0.49) ROCK2ALDH1A1MAPK1LMNACYP17A1
SCHEMBL4518862 0.78 ROCK2 (0.47) ROCK2ALDH1A1MEN1PKMKMT2A
SCHEMBL2439543 0.78 KDM4E (0.46) ROCK2ALDH1A1MEN1PKMKMT2A
SCHEMBL12329645 0.77 ROCK2 (0.44) ROCK2ALDH1A1MAPK1LMNACYP17A1

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-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-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-2542528-B1 HETEROCYCLIC AMIDES AS ROCK INHIBITORS AMAKEM NV (BE) 2013-06-19 EP disclosed
US-20120322801-A1 HETEROCYCLIC AMIDES AS ROCK INHIBITORS AMAKEM NV (BE) 2012-12-20 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-20120322801-A1 HETEROCYCLIC AMIDES AS ROCK INHIBITORS ROCK1, ROCK2, CIT ROCK2 2/4885ABL1 499/4885ALDH1A1 2624/4885
US-20130252975-A1 NOVEL ROCK INHIBITORS ROCK1, ROCK2, CIT ROCK2 2/4885ABL1 539/4885ALDH1A1 3675/4885

“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.