SCHEMBL6079221

SCHEMBL6079221

NC(=O)c1ccc(F)c(COc2cnccn2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.45
PARP10 Q53GL7 4/20 0.45
PARP15 Q460N3 2/20 0.45
PARP14 Q460N5 1/20 0.45
MRGPRX4 Q96LA9 1/20 0.41
HTR1A P08908 1/20 0.41
RXRA P19793 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2B Q13224 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
SIRT2 Q8IXJ6 2/20 0.36
SIRT1 Q96EB6 2/20 0.36
SIRT3 Q9NTG7 2/20 0.36
MKNK1 Q9BUB5 1/20 0.36
MKNK2 Q9HBH9 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
TSHR P16473 1/20 0.36
MC4R P32245 1/20 0.36
ADRA1A P35348 1/20 0.36
MC3R P41968 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
SCHEMBL6232632 0.85 KMT2A (0.39) MAOBHTR1ARXRAGRIN1GRIN2B
SCHEMBL6080064 0.81 MAOB (0.53) MAOBPARP10PARP15PARP14HTR1A
SCHEMBL6079224 0.80 RXRA (0.42) HTR1ARXRAGRIN1GRIN2B
SCHEMBL6079886 0.75 RAB9A (0.51) SMN1; SMN2SIRT2SIRT1SIRT3
SCHEMBL6079858 0.72 SYK (0.45) RXRAGRIN1GRIN2B
SCHEMBL3506824 0.72 MAOB (0.49) MAOBPARP10PARP15PARP14MRGPRX4
SCHEMBL6079669 0.72 HDAC3 (0.43) SMN1; SMN2SIRT2SIRT1SIRT3
SCHEMBL3688309 0.69 PARP1 (0.46) MAOBPARP10PARP15PARP14HTR1A
SCHEMBL31279141 0.69 PARP1 (0.46) MAOBPARP10PARP15PARP14HTR1A
SCHEMBL27972339 0.68 PARP1 (0.44) MAOBPARP10PARP15PARP14HTR1A

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.