SCHEMBL4522885

SCHEMBL4522885

CC(N)c1ccc(C(=O)Nc2ccncc2)cc1-c1ccccc1Cl

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 3/20 0.65
ROCK1 Q13464 2/20 0.54
KMT2A Q03164 4/20 0.53
MEN1 O00255 2/20 0.53
KDM4E B2RXH2 2/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
TYK2 P29597 4/20 0.48
JAK2 O60674 3/20 0.48
ALDH1A1 P00352 4/20 0.47
MAPK1 P28482 2/20 0.47
LMNA P02545 2/20 0.47
NT5E P21589 2/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
CYP3A4 P08684 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
TSHR P16473 1/20 0.47
CYP2C19 P33261 1/20 0.47

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
SCHEMBL4515679 0.85 ROCK2 (0.79) ROCK2ROCK1KMT2AMEN1KDM4E
SCHEMBL4529418 0.85 ROCK2 (0.66) ROCK2ROCK1KMT2AMEN1KDM4E
SCHEMBL1553702 0.85 KMT2A (0.66) ROCK2ROCK1KMT2AMEN1KDM4E
SCHEMBL1553700 0.85 KMT2A (0.66) ROCK2ROCK1KMT2AMEN1KDM4E
SCHEMBL4517142 0.83 ROCK2 (0.84) ROCK2ROCK1KMT2AMEN1KDM4E
Bromide SCHEMBL6557966 0.83 KMT2A (0.64) ROCK2ROCK1KMT2AMEN1KDM4E
Bromide SCHEMBL6557969 0.83 KMT2A (0.64) ROCK2ROCK1KMT2AMEN1KDM4E
SCHEMBL4518105 0.83 ROCK2 (0.73) ROCK2ROCK1KMT2AMEN1KDM4E
SCHEMBL4521062 0.83 ROCK2 (0.80) ROCK2ROCK1KMT2AMEN1KDM4E
SCHEMBL4514980 0.83 ROCK2 (0.69) ROCK2ROCK1KMT2AMEN1ALDH1A1

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
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

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 1/4885KMT2A 3194/4885

“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.