SCHEMBL4038595

SCHEMBL4038595

CC(=O)NC1CCN(C(=O)c2cccc(Nc3cc(Oc4ccc(C)nc4C)ccn3)c2)C1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 11/20 0.49
NOS3 P29474 1/20 0.43
NOS1 P29475 1/20 0.43
NOS2 P35228 1/20 0.43
SYK P43405 2/20 0.42
MAP3K12 Q12852 2/20 0.42
GPR52 Q9Y2T5 1/20 0.41
MAPK8 P45983 1/20 0.40
MAPK10 P53779 1/20 0.40
BRAF P15056 1/20 0.39
KDR P35968 1/20 0.39
BTK Q06187 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
SCHEMBL4183474 0.87 TGFBR1 (0.50) TGFBR1NOS3NOS1NOS2MAP3K12
SCHEMBL4177460 0.87 TGFBR1 (0.50) TGFBR1NOS3NOS1NOS2MAP3K12
SCHEMBL3946284 0.87 TGFBR1 (0.50) TGFBR1NOS3NOS1NOS2MAP3K12
SCHEMBL3952724 0.86 TGFBR1 (0.55) TGFBR1MAP3K12GPR52
SCHEMBL3949333 0.85 TGFBR1 (0.48) TGFBR1MAP3K12MAPK8MAPK10
SCHEMBL3944569 0.84 TGFBR1 (0.54) TGFBR1NOS3NOS1NOS2GPR52
SCHEMBL4166207 0.84 TGFBR1 (0.51) TGFBR1SYK
SCHEMBL4171178 0.83 TGFBR1 (0.55) TGFBR1GPR52BRAFKDR
SCHEMBL3950263 0.80 TGFBR1 (0.49) TGFBR1NOS3NOS1NOS2SYK
SCHEMBL3944990 0.79 TGFBR1 (0.62) TGFBR1

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
US-20090048269-A1 CHEMICAL COMPOUNDS-821 ASTRAZENECA AB (SE) 2009-02-19 US disclosed
WO-2009022171-A1 PYRIDINYIIOXY PYRIDINES AS ALK5 INHIBITORS ASTRAZENECA AB (SE) 2009-02-19 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-20090048269-A1 CHEMICAL COMPOUNDS-821 TGFBR1, TGFBR2, SMAD3 TGFBR1 1/4885NOS3 859/4885NOS1 605/4885

“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.