SCHEMBL4517679

SCHEMBL4517679

CC(N)c1ccc(C(=O)Nc2ccncc2)cc1-c1ccoc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 6/20 0.70
ROCK1 Q13464 2/20 0.53
IKBKE Q14164 1/20 0.49
TBK1 Q9UHD2 1/20 0.49
ALDH1A1 P00352 4/20 0.47
LMNA P02545 3/20 0.47
MAPK1 P28482 2/20 0.47
KDM4E B2RXH2 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
F2 P00734 1/20 0.45
PLG P00747 1/20 0.45
PLAU P00749 1/20 0.45
PLAT P00750 1/20 0.45
KLK1 P06870 1/20 0.45
PRSS1 P07477 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
PKM P14618 1/20 0.44
MAPT P10636 2/20 0.43
TP53 P04637 1/20 0.43

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
Hydrochloric Acid SCHEMBL4516553 0.99 ROCK2 (0.69) ROCK2ROCK1IKBKETBK1ALDH1A1
SCHEMBL4517142 0.87 ROCK2 (0.84) ROCK2ROCK1ALDH1A1LMNAMAPK1
SCHEMBL4515679 0.84 ROCK2 (0.79) ROCK2ROCK1ALDH1A1LMNAMAPK1
SCHEMBL4515869 0.82 ROCK2 (0.72) ROCK2ROCK1ALDH1A1LMNAMAPK1
SCHEMBL29827460 0.82 ROCK2 (1.00) ROCK2ROCK1ALDH1A1LMNAMAPK1
SCHEMBL4511321 0.82 ROCK2 (1.00) ROCK2ROCK1ALDH1A1LMNAMAPK1
SCHEMBL4521062 0.82 ROCK2 (0.80) ROCK2ROCK1ALDH1A1LMNAMAPK1
SCHEMBL4506340 0.81 ROCK2 (0.78) ROCK2ROCK1ALDH1A1LMNAMAPK1
Hydrochloric Acid SCHEMBL4517331 0.81 ROCK2 (0.78) ROCK2ROCK1ALDH1A1LMNAMAPK1
SCHEMBL14245130 0.81 ROCK2 (0.59) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090233960-A1 Kinase Inhibitors DEVGEN NV (BE) 2009-09-17 US claimed
US-20090233960-A1 Kinase Inhibitors DEVGEN NV (BE) 2009-09-17 US disclosed
US-20090233960-A1 Kinase Inhibitors DEVGEN NV (BE) 2009-09-17 US disclosed
US-20090233960-A1 Kinase Inhibitors DEVGEN NV (BE) 2009-09-17 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 (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-20090233960-A1 Kinase Inhibitors ROCK1, MAP3K1, MAP3K11 ROCK2 32/4885ROCK1 1/4885IKBKE 313/4885

“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.