SCHEMBL4515869

SCHEMBL4515869

CC(N)c1ccc(C(=O)Nc2ccncc2)cc1-c1cccnc1

nearest known ligand 0.72

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 6/20 0.72
ROCK1 Q13464 3/20 0.55
ABL1 P00519 5/20 0.51
SMN1; SMN2 Q16637 2/20 0.49
POLB P06746 1/20 0.49
STAT3 P40763 1/20 0.49
BCR P11274 1/20 0.48
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
MAPK1 P28482 1/20 0.48
EPHX2 P34913 1/20 0.48
ATR Q13535 1/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
TP53 P04637 1/20 0.47
KDM4E B2RXH2 1/20 0.47
NT5E P21589 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 0.91 ROCK2 (0.79) ROCK2ROCK1SMN1; SMN2POLBSTAT3
SCHEMBL4517142 0.89 ROCK2 (0.84) ROCK2ROCK1ABL1SMN1; SMN2POLB
SCHEMBL2445126 0.86 ROCK2 (0.69) ROCK2ROCK1SMN1; SMN2POLBSTAT3
SCHEMBL4514980 0.86 ROCK2 (0.69) ROCK2ROCK1SMN1; SMN2POLBSTAT3
SCHEMBL29827460 0.84 ROCK2 (1.00) ROCK2ROCK1ABL1SMN1; SMN2POLB
SCHEMBL4521062 0.84 ROCK2 (0.80) ROCK2ROCK1ABL1SMN1; SMN2POLB
SCHEMBL4511321 0.84 ROCK2 (1.00) ROCK2ROCK1ABL1SMN1; SMN2POLB
SCHEMBL14246056 0.84 ROCK2 (0.70) ROCK2
SCHEMBL4523166 0.84 ROCK2 (0.66) ROCK2ROCK1SMN1; SMN2POLBALDH1A1
SCHEMBL4512478 0.84 ROCK2 (0.72) ROCK2ROCK1SMN1; SMN2POLBSTAT3

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 5 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

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 1/4885ABL1 239/4885

“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.