SCHEMBL6079232

SCHEMBL6079232

Nc1ccc(Cl)c(COc2ccc(NCCO)nc2)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.37
CYP2C19 P33261 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.35
TNF P01375 1/20 0.34
IL1B P01584 1/20 0.34
NLRP3 Q96P20 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
GCK P35557 1/20 0.34
FGFR4 P22455 1/20 0.34
TDO2 P48775 1/20 0.34
ALKBH1 Q13686 1/20 0.34
HRH4 Q9H3N8 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
MKNK1 Q9BUB5 1/20 0.33
MAOB P27338 1/20 0.33
CD274 Q9NZQ7 1/20 0.33
LMNA P02545 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
SCHEMBL6078525 0.90 GCK (0.35) MEN1KMT2AGCKFGFR4ALKBH1
SCHEMBL6079009 0.81 GAA (0.42) CYP2D6CYP2C19MEN1KMT2ASMN1; SMN2
SCHEMBL6079701 0.76 GRM5 (0.37) ALKBH1MAOBHTR2ASLC6A4
SCHEMBL530600 0.73 KDM4E (0.46) CYP2D6CYP2C19TDO2HRH4HRH3
SCHEMBL6079265 0.70 NOS1 (0.47) NPSR1NOS1NOS2
SCHEMBL17604353 0.67 MKNK1 (0.52) KMT2ASMN1; SMN2TNFIL1BNLRP3
SCHEMBL30417616 0.64 NUDT1 (0.54) CYP1A2HRH4HRH3MKNK1
SCHEMBL29007934 0.64 NUDT1 (0.54) CYP1A2HRH4HRH3MKNK1
SCHEMBL21340749 0.64 MAOB (0.56) SMN1; SMN2MAOBHTR2ASLC6A4
SCHEMBL5162037 0.64 ALDH1A1 (0.46) CYP2D6CYP2C19MEN1KMT2ASMN1; SMN2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060063782-A1 3-Hetero arylmethoxy ! pyridines and their analogues as p38 map kinase inhibitors ASTEX THERAPEUTICS LIMITED (GB) 2006-03-23 US disclosed
EP-1545523-A1 3-&-grave;(HETERO) ARYLMETHOXY ! PYRIDINES AND THEIR ANALOGUES ASP38 MAP KINASE INHIBITORS Astex Technology Limited (GB) 2005-06-29 EP disclosed
WO-2005002673-A1 RAF KINASE INHIBITORS ASTEX THERAPEUTICS LIMITED (GB) 2005-01-13 WO disclosed
WO-2004004720-A1 3-`(HETERO) ARYLMETHOXY ! PYRIDINES AND THEIR ANALOGUES AS P38 MAP KINASE INHIBITORS ASTEX TECHNOLOGY LIMITED (GB) 2004-01-15 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-20060063782-A1 3-Hetero arylmethoxy ! pyridines and their analogues as p38 map kinase inhibitors MAPK1, MAPK3, MAPK10 CYP2D6 1588/4885CYP2C19 1696/4885MEN1 4610/4885

“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.