SCHEMBL4166346

SCHEMBL4166346

Cc1ccc(Oc2ccnc(Nc3ccc(C(=O)N(C)C)cc3)c2)c(C)n1

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 17/20 0.65
MAPK9 P45984 1/20 0.49
MAPK10 P53779 1/20 0.49
CYP1A2 P05177 2/20 0.46
USP2 O75604 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C19 P33261 1/20 0.46
CYP2C9 P11712 1/20 0.42
CLK4 Q9HAZ1 1/20 0.42

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
SCHEMBL4187880 0.89 TGFBR1 (0.59) TGFBR1MAPK9MAPK10
SCHEMBL3947689 0.87 TGFBR1 (0.67) TGFBR1
SCHEMBL3947260 0.87 TGFBR1 (0.70) TGFBR1
Lithium Ion SCHEMBL3947685 0.86 TGFBR1 (0.69) TGFBR1
SCHEMBL3943847 0.84 TGFBR1 (0.64) TGFBR1
SCHEMBL4177275 0.84 TGFBR1 (0.64) TGFBR1
SCHEMBL4175109 0.84 TGFBR1 (0.69) TGFBR1
SCHEMBL4168353 0.81 TGFBR1 (0.77) TGFBR1
SCHEMBL4175857 0.81 TGFBR1 (0.75) TGFBR1
SCHEMBL3952593 0.81 TGFBR1 (0.67) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 1/4885MAPK9 1235/4885MAPK10 1125/4885

“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.