SCHEMBL4042722

SCHEMBL4042722

O=[C]NCCn1cccn1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.38
FDPS P14324 1/20 0.37
NAMPT P43490 2/20 0.35
THRB P10828 2/20 0.35
KMT2A Q03164 3/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
LMNA P02545 3/20 0.33
NLRP3 Q96P20 2/20 0.33
POLB P06746 1/20 0.33
TLR8 Q9NR97 1/20 0.33
TLR7 Q9NYK1 1/20 0.33

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
SCHEMBL14406687 0.74
SCHEMBL1455889 0.74
SCHEMBL3477001 0.74 KDM4E (0.38) DAOFDPSNAMPTTHRBKMT2A
SCHEMBL5713341 0.73 DAO (0.50) DAOFDPSTHRBHDAC1HDAC6
SCHEMBL4042725 0.73 DAO (0.38) DAOFDPSNAMPTTHRBKMT2A
SCHEMBL4033337 0.73 TP53 (0.39)
SCHEMBL29004722 0.72 KMT2A (0.47) FDPSNAMPTTHRBKMT2AHDAC1
SCHEMBL16098924 0.70 MTNR1A (0.46) NAMPTTHRBKMT2ALMNA
SCHEMBL2845257 0.70
SCHEMBL7100687 0.69 DAO (0.43) DAOFDPSTHRBHDAC1HDAC6

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 DAO 2471/4885FDPS 1967/4885NAMPT 2571/4885

“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.