SCHEMBL1789970

SCHEMBL1789970

Cc1c(CNC(=O)c2ccc3c(c2)CCN(C2=CC=C2)CC3)cnn1C

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.49
MAPT P10636 4/20 0.38
TP53 P04637 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
POLB P06746 1/20 0.38
NPSR1 Q6W5P4 2/20 0.38
RXFP1 Q9HBX9 1/20 0.38
KMT2A Q03164 2/20 0.37
SLC8A1 P32418 3/20 0.36
HDAC1 Q13547 2/20 0.36
HDAC3 O15379 1/20 0.36
HDAC6 Q9UBN7 1/20 0.35
MEN1 O00255 1/20 0.35
USP2 O75604 1/20 0.35
MAPK1 P28482 1/20 0.35
EPHX2 P34913 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
SCHEMBL1790366 0.84 RAB9A (0.40) ROCK2MAPTSMN1; SMN2KMT2AHDAC6
SCHEMBL1792607 0.83 ROCK2 (0.48) ROCK2SMN1; SMN2KMT2AUSP2
SCHEMBL1786312 0.83 RAB9A (0.42) ROCK2SMN1; SMN2POLBKMT2AHDAC6
SCHEMBL1787644 0.83 ALDH1A1 (0.53) MAPTTP53SMN1; SMN2KMT2AMEN1
SCHEMBL1787647 0.82 KMT2A (0.47) ROCK2TP53KMT2AHDAC6
SCHEMBL1789905 0.82 ROCK2 (0.48) ROCK2MAPTTP53SMN1; SMN2KMT2A
SCHEMBL1787247 0.82 KMT2A (0.37) ROCK2MAPTTP53KMT2AHDAC6
SCHEMBL1788120 0.81 HDAC6 (0.37) MAPTTP53SMN1; SMN2POLBNPSR1
SCHEMBL1787362 0.81 TP53 (0.52) ROCK2MAPTTP53SMN1; SMN2POLB
SCHEMBL1789968 0.81 ROCK2 (0.51) ROCK2POLBHDAC6

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 ROCK2 2377/4885MAPT 3598/4885TP53 4800/4885

“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.