SCHEMBL3945858

SCHEMBL3945858

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

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 12/20 0.54
KDR P35968 2/20 0.47
MET P08581 1/20 0.43
JAK2 O60674 3/20 0.42
JAK3 P52333 3/20 0.42
PIK3CA P42336 1/20 0.40
MTOR P42345 1/20 0.40
HTR1A P08908 1/20 0.40
HTR1D P28221 1/20 0.40
HTR1B P28222 1/20 0.40
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 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
SCHEMBL3946771 0.89 TGFBR1 (0.53) TGFBR1KDRJAK2JAK3HTR1A
SCHEMBL3946514 0.87 TGFBR1 (0.51) TGFBR1KDRMETHTR1AHTR1D
SCHEMBL4172745 0.86 TGFBR1 (0.52) TGFBR1KDRMET
SCHEMBL4184901 0.85 TGFBR1 (0.50) TGFBR1KDRMETHTR1AHTR1D
SCHEMBL4183785 0.85 TBK1 (0.51) TGFBR1
SCHEMBL3946294 0.84 TGFBR1 (0.49) TGFBR1KDRMETHTR1AHTR1D
SCHEMBL4177426 0.84 TGFBR1 (0.49) TGFBR1KDRMETHTR1AHTR1D
SCHEMBL3943771 0.83 TGFBR1 (0.48) TGFBR1KDRMETHTR1AHTR1D
SCHEMBL3953665 0.83 TGFBR1 (0.46) TGFBR1KDRMETHTR1AHTR1D
SCHEMBL3943836 0.83 TGFBR1 (0.52) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090048269-A1 CHEMICAL COMPOUNDS-821 ASTRAZENECA AB (SE) 2009-02-19 US claimed
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 1/4885KDR 77/4885MET 35/4885

“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.