SCHEMBL4172745

SCHEMBL4172745

Cc1ccc(Oc2ccnc(Nc3cccc(CN4CCNCC4)c3)c2)c(C)n1

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 15/20 0.52
ACP1 P24666 1/20 0.44
KDR P35968 2/20 0.39
MET P08581 1/20 0.39
IKBKE Q14164 1/20 0.39
TBK1 Q9UHD2 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 0.90 TGFBR1 (0.53) TGFBR1ACP1KDR
SCHEMBL3946514 0.86 TGFBR1 (0.51) TGFBR1KDRMET
SCHEMBL3945858 0.86 TGFBR1 (0.54) TGFBR1KDRMET
SCHEMBL3953665 0.86 TGFBR1 (0.46) TGFBR1KDRMET
SCHEMBL4184901 0.85 TGFBR1 (0.50) TGFBR1KDRMET
SCHEMBL4183785 0.84 TBK1 (0.51) TGFBR1TBK1
SCHEMBL4177426 0.83 TGFBR1 (0.49) TGFBR1KDRMETTBK1
SCHEMBL3946294 0.83 TGFBR1 (0.49) TGFBR1KDRMETTBK1
SCHEMBL3943836 0.83 TGFBR1 (0.52) TGFBR1IKBKETBK1
SCHEMBL3943771 0.83 TGFBR1 (0.48) TGFBR1KDRMET

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 claimed
US-20090048269-A1 CHEMICAL COMPOUNDS-821 ASTRAZENECA AB (SE) 2009-02-19 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-20090048269-A1 CHEMICAL COMPOUNDS-821 TGFBR1, TGFBR2, SMAD3 TGFBR1 1/4885ACP1 2106/4885KDR 77/4885

“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.