SCHEMBL1787647

SCHEMBL1787647

Cn1nccc1CNC(=O)c1ccc2c(c1)CCN(C1=CC=C1)CC2

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ITK Q08881 4/20 0.43
HPGDS O60760 1/20 0.42
INSR P06213 2/20 0.42
CCNE1 P24864 2/20 0.42
CDK2 P24941 2/20 0.42
GSK3B P49841 1/20 0.42
LMNA P02545 1/20 0.39
ROCK2 O75116 4/20 0.37
ROCK1 Q13464 1/20 0.37
EIF4E P06730 1/20 0.37
HDAC6 Q9UBN7 2/20 0.36
TP53 P04637 1/20 0.36
CD274 Q9NZQ7 1/20 0.35

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
SCHEMBL1788755 0.88 SLC8A1 (0.36) KMT2AL3MBTL1ROCK2ROCK1HDAC6
SCHEMBL1787247 0.85 KMT2A (0.37) KMT2AROCK2ROCK1HDAC6TP53
SCHEMBL1791556 0.83 ITK (0.44) KMT2AITKINSRCCNE1CDK2
SCHEMBL1788606 0.83 NAMPT (0.48) KMT2AROCK2HDAC6
SCHEMBL1787944 0.83 MAPT (0.41) KMT2AROCK2HDAC6TP53
SCHEMBL1789970 0.82 ROCK2 (0.49) KMT2AROCK2HDAC6TP53
SCHEMBL1789905 0.82 ROCK2 (0.48) KMT2AL3MBTL1GSK3BLMNAROCK2
SCHEMBL1790366 0.82 RAB9A (0.40) KMT2AGSK3BLMNAROCK2ROCK1
SCHEMBL1791894 0.81 ALDH1A1 (0.48) KMT2ALMNAROCK2ROCK1
SCHEMBL1792607 0.81 ROCK2 (0.48) KMT2ALMNAROCK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2326625-A1 BENZAZEPINE DERIVATIVES AND THEIR USE AS HSTAMINE H3 ANTAGONISTS Takeda Pharmaceutical Company Limited (JP) 2011-06-01 EP disclosed
US-20110124626-A1 BENZAZEPINE DERIVATIVES AND THEIR USE AS HISTAMINE H3 ANTAGONISTS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-05-26 US disclosed
WO-2010007382-A1 BENZAZEPINE DERIVATIVES AND THEIR USE AS HSTAMINE H3 ANTAGONISTS TAKEDA PHARMACEUTICAL COMPANY LIMITED. (JP) 2010-01-21 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-20110124626-A1 BENZAZEPINE DERIVATIVES AND THEIR USE AS HISTAMINE H3 ANTAGONISTS HRH4, HRH3, HRH2 KMT2A 731/4885L3MBTL1 1512/4885ITK 1449/4885

“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.