SCHEMBL4527616

SCHEMBL4527616

CC(N)c1ccc(C(=O)Nc2ccncc2)cc1NCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 4/20 0.54
ROCK1 Q13464 2/20 0.52
HDAC1 Q13547 7/20 0.49
HDAC3 O15379 1/20 0.49
NAMPT P43490 1/20 0.47
KDM4E B2RXH2 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
JAK2 O60674 1/20 0.47
TYK2 P29597 1/20 0.47
HDAC8 Q9BY41 4/20 0.46
HDAC6 Q9UBN7 3/20 0.46
FLT1 P17948 1/20 0.46
POLB P06746 1/20 0.46
STAT3 P40763 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HTT P42858 2/20 0.45
LMNA P02545 1/20 0.45
NT5E P21589 1/20 0.44
CDC7 O00311 1/20 0.44

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
SCHEMBL14547284 1.00 ROCK2 (0.54) ROCK2ROCK1HDAC1HDAC3NAMPT
Hydrochloric Acid SCHEMBL4519823 0.99 ROCK2 (0.53) ROCK2ROCK1HDAC1HDAC3NAMPT
SCHEMBL4517023 0.85 ROCK2 (0.61) ROCK2ROCK1HDAC1NAMPTKDM4E
Hydrochloric Acid SCHEMBL4511190 0.84 ROCK2 (0.62) ROCK2ROCK1HDAC1NAMPTKDM4E
SCHEMBL4527276 0.84 ROCK2 (0.51) ROCK2ROCK1KDM4ENPC1RAB9A
SCHEMBL4519239 0.84 ROCK2 (0.57) ROCK2ROCK1NAMPTKDM4ENPC1
Hydrochloric Acid SCHEMBL4513943 0.83 ROCK2 (0.50) ROCK2ROCK1KDM4ENPC1RAB9A
Hydrochloric Acid SCHEMBL4515980 0.83 ROCK2 (0.56) ROCK2ROCK1NAMPTKDM4ENPC1
SCHEMBL4525420 0.82 ROCK2 (0.55) ROCK2ROCK1NAMPTKDM4ENPC1
Hydrochloric Acid SCHEMBL4513491 0.81 ROCK2 (0.54) ROCK2ROCK1NAMPTKDM4ENPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090233960-A1 Kinase Inhibitors DEVGEN NV (BE) 2009-09-17 US claimed
CN-101287707-A Kinase inhibitors DEVGEN NV (BE) 2008-10-15 CN claimed
EP-1934181-A2 KINASE INHIBITORS Devgen NV (BE) 2008-06-25 EP claimed
WO-2007042321-A2 KINASE INHIBITORS DEVGEN N.V. (BE) 2007-04-19 WO 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
CN-101287707-A Kinase inhibitors DEVGEN NV (BE) 2008-10-15 CN 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 1/4885HDAC1 1208/4885

“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.