SCHEMBL6080064

SCHEMBL6080064

NC(=O)c1ccc(F)c(COc2cccnc2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.53
PARP10 Q53GL7 3/20 0.53
PARP15 Q460N3 1/20 0.53
PARP14 Q460N5 1/20 0.53
SIRT2 Q8IXJ6 6/20 0.46
SIRT1 Q96EB6 6/20 0.46
SIRT3 Q9NTG7 6/20 0.46
F7 P08709 1/20 0.44
F3 P13726 1/20 0.44
SARM1 Q6SZW1 1/20 0.44
SIRT6 Q8N6T7 1/20 0.44
SIRT5 Q9NXA8 1/20 0.44
SIRT4 Q9Y6E7 1/20 0.44
MKNK1 Q9BUB5 3/20 0.43
MKNK2 Q9HBH9 3/20 0.43
CHEK2 O96017 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
DAO P14920 1/20 0.42
CCNC P24863 1/20 0.41
CDK8 P49336 1/20 0.41

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
SCHEMBL6079221 0.81 MAOB (0.45) MAOBPARP10PARP15PARP14SIRT2
SCHEMBL6080069 0.80 NOS1 (0.47) DAO
SCHEMBL18340275 0.78 SIRT2 (0.71) SIRT2SIRT1SIRT3
SCHEMBL6078757 0.77 RAB9A (0.56) SIRT2SIRT1SIRT3SMN1; SMN2KMT2A
SCHEMBL4638431 0.75 PARP10 (0.53) MAOBPARP10PARP15PARP14
SCHEMBL6078971 0.74 MAPK14 (0.56) SIRT2SIRT1SIRT3
SCHEMBL4638452 0.72 PARP10 (0.72) MAOBPARP10PARP15PARP14
SCHEMBL29873406 0.72 PARP10 (0.72) MAOBPARP10PARP15PARP14
SCHEMBL4639238 0.72 MAOB (0.52) MAOBPARP10PARP15PARP14
Hydrochloric Acid SCHEMBL5177165 0.72 GPR132 (0.61) SIRT2SIRT1SIRT3

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 MAOB 1711/4885PARP10 2169/4885PARP15 3863/4885

“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.