SCHEMBL4525552

SCHEMBL4525552

CC(N)c1ccc(C(=O)Nc2ccncc2)cc1NC(=O)c1ccc(Cl)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.63
NT5E P21589 1/20 0.63
ROCK2 O75116 3/20 0.60
ROCK1 Q13464 2/20 0.60
MAPK1 P28482 2/20 0.56
MEN1 O00255 3/20 0.52
KDM4E B2RXH2 2/20 0.52
L3MBTL1 Q9Y468 1/20 0.51
NAMPT P43490 2/20 0.47
KCNMA1 Q12791 1/20 0.47
LMNA P02545 2/20 0.46
MAPT P10636 1/20 0.46
RECQL P46063 1/20 0.46
ALDH1A1 P00352 2/20 0.46
PKM P14618 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
TSHR P16473 1/20 0.46

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 SCHEMBL4517367 0.99 KMT2A (0.61) KMT2ANT5EROCK2ROCK1MAPK1
SCHEMBL4521216 0.90 ROCK2 (0.55) KMT2ANT5EROCK2ROCK1MEN1
SCHEMBL4517023 0.89 ROCK2 (0.61) KMT2ANT5EROCK2ROCK1MEN1
Hydrochloric Acid SCHEMBL4762964 0.89 ROCK2 (0.54) KMT2ANT5EROCK2ROCK1MEN1
Hydrochloric Acid SCHEMBL4511190 0.88 ROCK2 (0.62) KMT2ANT5EROCK2ROCK1MEN1
SCHEMBL4527192 0.86 KDM4E (0.64) KMT2AROCK2ROCK1MAPK1MEN1
Hydrochloric Acid SCHEMBL4511323 0.85 KDM4E (0.63) KMT2AROCK2ROCK1MAPK1MEN1
SCHEMBL4521062 0.85 ROCK2 (0.80) KMT2ANT5EROCK2ROCK1MAPK1
Hydrochloric Acid SCHEMBL4517331 0.84 ROCK2 (0.78) KMT2ANT5EROCK2ROCK1MAPK1
SCHEMBL1553702 0.84 KMT2A (0.66) KMT2ANT5EROCK2ROCK1MAPK1

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
CN-101287707-A Kinase inhibitors DEVGEN NV (BE) 2008-10-15 CN disclosed
WO-2007042321-A2 KINASE INHIBITORS DEVGEN N.V. (BE) 2007-04-19 WO 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 KMT2A 3194/4885NT5E 4665/4885ROCK2 32/4885

“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.