SCHEMBL5789762

SCHEMBL5789762

Clc1cccc(-c2nc3ccccn3c2-c2ccnc(-c3ccc(OCCN4CCCC4)cc3)c2)c1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PRKAB2 O43741 1/20 0.48
PRKAG1 P54619 1/20 0.48
PRKAA2 P54646 1/20 0.48
PRKAA1 Q13131 1/20 0.48
PRKAG3 Q9UGI9 1/20 0.48
PRKAG2 Q9UGJ0 1/20 0.48
PRKAB1 Q9Y478 1/20 0.48
TGFBR1 P36897 1/20 0.47
AVPR1B P47901 1/20 0.46
HRH3 Q9Y5N1 4/20 0.44
LTA4H P09960 3/20 0.44
HRH2 P25021 1/20 0.43
HRH1 P35367 1/20 0.43
ACHE P22303 2/20 0.42
ATP4A P20648 3/20 0.41
ATP4B P51164 3/20 0.41
MCHR1 Q99705 1/20 0.41
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL5786655 0.87 TGFBR1 (0.57) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL5788739 0.85 IGF1R (0.51) TGFBR1ACHEKDM4E
SCHEMBL5789751 0.80 MAPK13 (0.46)
SCHEMBL5789564 0.77 IGF1R (0.48) TGFBR1KDM4E
SCHEMBL5788026 0.76 HRH3 (0.49) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL5790097 0.74 CDK2 (0.43) KDM4E
SCHEMBL5786911 0.74 TGFBR1 (0.39) TGFBR1HRH3KDM4E
SCHEMBL5789344 0.73 TGFBR1 (0.43) TGFBR1HRH3KDM4E
SCHEMBL5790032 0.73 GAA (0.46) KDM4E
SCHEMBL5791222 0.71 TGFBR1 (0.40) TGFBR1HRH3KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1543003-B1 IMIDAZO¬1,2-A|PYRIDINES SMITHKLINE BEECHAM CORP (US) 2006-05-17 EP disclosed
US-20050234029-A1 Compounds DODIC NERINA 2005-10-20 US 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-20050234029-A1 Compounds SMAD3, SMAD2, ACVR1 PRKAB2 474/4885PRKAG1 527/4885PRKAA2 1244/4885

“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.