SCHEMBL6079701

SCHEMBL6079701

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

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.37
HTR2A P28223 1/20 0.37
SLC6A4 P31645 1/20 0.37
MAOB P27338 3/20 0.37
SYK P43405 1/20 0.36
KDM4E B2RXH2 1/20 0.36
POLB P06746 1/20 0.36
BCL2L1 Q07817 1/20 0.36
ALKBH1 Q13686 1/20 0.36

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
SCHEMBL30296217 0.82 GRM5 (0.39) GRM5
SCHEMBL6079865 0.78 MAPT (0.45) KDM4EPOLB
SCHEMBL6078525 0.78 GCK (0.35) HTR2ASLC6A4MAOBSYKKDM4E
SCHEMBL6079265 0.77 NOS1 (0.47) SYK
SCHEMBL21340749 0.76 MAOB (0.56) HTR2ASLC6A4MAOB
SCHEMBL6079232 0.76 CYP2D6 (0.37) HTR2ASLC6A4MAOBALKBH1
SCHEMBL6079009 0.74 GAA (0.42) MAOBPOLBBCL2L1
SCHEMBL6204627 0.74 MAOB (0.55) MAOB
SCHEMBL5570028 0.74 MPO (0.51) HTR2ASLC6A4KDM4EPOLB
SCHEMBL30296395 0.71 INPPL1 (0.41) GRM5MAOBKDM4E

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 GRM5 2714/4885HTR2A 691/4885SLC6A4 2076/4885

“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.