SCHEMBL3950263

SCHEMBL3950263

Cc1ccc(Oc2ccnc(Nc3cccc(C(=O)N4CCN(CC(N)=O)CC4)c3)c2)c(C)n1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 15/20 0.49
GPR52 Q9Y2T5 2/20 0.40
NOS3 P29474 1/20 0.39
NOS1 P29475 1/20 0.39
NOS2 P35228 1/20 0.39
SRC P12931 1/20 0.38
SYK P43405 1/20 0.38
GSK3A P49840 1/20 0.38
MAP3K7 O43318 1/20 0.37
IRAK4 Q9NWZ3 1/20 0.37

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
SCHEMBL3944569 0.88 TGFBR1 (0.54) TGFBR1GPR52NOS3NOS1NOS2
SCHEMBL3952724 0.88 TGFBR1 (0.55) TGFBR1GPR52MAP3K7IRAK4
SCHEMBL3949333 0.83 TGFBR1 (0.48) TGFBR1
SCHEMBL3946294 0.82 TGFBR1 (0.49) TGFBR1
SCHEMBL4181719 0.81 TGFBR1 (0.55) TGFBR1GPR52
SCHEMBL3954430 0.80 TGFBR1 (0.46) TGFBR1GPR52
SCHEMBL4038595 0.80 TGFBR1 (0.49) TGFBR1GPR52NOS3NOS1NOS2
SCHEMBL3944990 0.80 TGFBR1 (0.62) TGFBR1
SCHEMBL3946514 0.80 TGFBR1 (0.51) TGFBR1
SCHEMBL3946284 0.80 TGFBR1 (0.50) TGFBR1GPR52NOS3NOS1NOS2

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 1/4885GPR52 397/4885NOS3 859/4885

“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.