SCHEMBL1788052

SCHEMBL1788052

Cc1ncc(C(=O)NCc2ccc3c(c2)CCN(C2=CC=C2)CC3)cn1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TP53 P04637 5/20 0.44
PRKAB2 O43741 1/20 0.42
PRKAG1 P54619 1/20 0.42
PRKAA2 P54646 1/20 0.42
PRKAA1 Q13131 1/20 0.42
PRKAG3 Q9UGI9 1/20 0.42
PRKAG2 Q9UGJ0 1/20 0.42
PRKAB1 Q9Y478 1/20 0.42
LMNA P02545 8/20 0.41
MAPK14 Q16539 1/20 0.41
THRB P10828 2/20 0.39
KMT2A Q03164 1/20 0.39
POLB P06746 2/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL1787198 0.91 PRKAB2 (0.41) TP53PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL1788306 0.89 LMNA (0.43) TP53PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL1787185 0.89 PRKAB2 (0.42) TP53PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL1788356 0.88 TP53 (0.44) TP53PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL1788407 0.88 PRKAB2 (0.40) TP53PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL1788622 0.88 DGAT2 (0.42) TP53PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL1790517 0.84 LMNA (0.51) TP53LMNAMAPK14THRBKMT2A
SCHEMBL1787346 0.84 MAPK14 (0.41) TP53PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL1787504 0.83 DGAT2 (0.43) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL1789792 0.82 LMNA (0.50) TP53LMNAMAPK14THRB

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 TP53 4800/4885PRKAB2 4723/4885PRKAG1 4737/4885

“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.