SCHEMBL1789905

SCHEMBL1789905

Cn1cc(CNC(=O)c2ccc3c(c2)CCN(C2=CC=C2)CC3)cn1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 2/20 0.48
PIK3CA P42336 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
ALDH1A1 P00352 3/20 0.40
WNT1 P04628 2/20 0.40
GSK3B P49841 2/20 0.40
DYRK1A Q13627 2/20 0.40
KMT2A Q03164 1/20 0.40
RORC P51449 1/20 0.40
EGLN2 Q96KS0 1/20 0.40
LMNA P02545 2/20 0.40
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ROCK1 Q13464 1/20 0.39
TSHR P16473 1/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL1790452 0.89 ALDH1A1 (0.50) ROCK2PIK3CAALDH1A1KMT2ALMNA
SCHEMBL1789725 0.83 EPHX2 (0.48) SMN1; SMN2ALDH1A1KMT2ALMNATP53
SCHEMBL1791894 0.83 ALDH1A1 (0.48) ROCK2SMN1; SMN2ALDH1A1KMT2ALMNA
SCHEMBL1788808 0.83 RAB9A (0.48) SMN1; SMN2NPC1RAB9AALDH1A1LMNA
SCHEMBL1787644 0.82 ALDH1A1 (0.53) SMN1; SMN2NPC1RAB9AALDH1A1KMT2A
SCHEMBL1789970 0.82 ROCK2 (0.49) ROCK2SMN1; SMN2KMT2ATP53MAPT
SCHEMBL1789578 0.82 NR1H4 (0.48) ALDH1A1KMT2AMAPT
SCHEMBL1787647 0.82 KMT2A (0.47) ROCK2GSK3BKMT2ALMNATP53
SCHEMBL1791073 0.82 LMNA (0.56) ROCK2SMN1; SMN2ALDH1A1KMT2ALMNA
SCHEMBL1787686 0.82 NAMPT (0.49) ROCK2SMN1; SMN2ALDH1A1KMT2ALMNA

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 2377/4885PIK3CA 4500/4885SMN1; SMN2 4393/4885

“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.