SCHEMBL3944113

SCHEMBL3944113

Cc1ccc(Oc2ccnc(Nc3cccc(CN4CCN(C(=O)CCNC(=O)OC(C)(C)C)CC4)c3)c2)c(C)n1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 10/20 0.47
SIGMAR1 Q99720 2/20 0.45
TBK1 Q9UHD2 4/20 0.39
KDR P35968 2/20 0.39
BRAF P15056 1/20 0.39
MET P08581 1/20 0.38
HTR1A P08908 1/20 0.37
HTR1D P28221 1/20 0.37
HTR1B P28222 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
SCHEMBL4175039 0.92 TGFBR1 (0.47) TGFBR1TBK1KDRBRAFMET
SCHEMBL3943836 0.89 TGFBR1 (0.52) TGFBR1TBK1
SCHEMBL4177426 0.88 TGFBR1 (0.49) TGFBR1TBK1KDRBRAFMET
SCHEMBL3946294 0.85 TGFBR1 (0.49) TGFBR1TBK1KDRBRAFMET
SCHEMBL3946514 0.85 TGFBR1 (0.51) TGFBR1KDRBRAFMETHTR1A
SCHEMBL4183785 0.83 TBK1 (0.51) TGFBR1TBK1
SCHEMBL4168496 0.82 TGFBR1 (0.47) TGFBR1
SCHEMBL3946771 0.81 TGFBR1 (0.53) TGFBR1KDRBRAFHTR1AHTR1D
SCHEMBL4184901 0.80 TGFBR1 (0.50) TGFBR1KDRBRAFMETHTR1A
SCHEMBL3953846 0.80 TGFBR1 (0.49) TGFBR1TBK1

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 1/4885SIGMAR1 2159/4885TBK1 673/4885

“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.