SCHEMBL6080485

SCHEMBL6080485

Nc1ncccc1OCc1ccc(F)cc1F

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 8/20 0.54
LTA4H P09960 1/20 0.54
IDO1 P14902 2/20 0.51
AGXT P21549 2/20 0.51
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
MAPT P10636 1/20 0.50
HTT P42858 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
DHFR P00374 2/20 0.48
DCPS Q96C86 1/20 0.48
MAOB P27338 1/20 0.43
PTGER1 P34995 1/20 0.42

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
SCHEMBL488182 0.85 RAB9A (0.58) MAPK14LTA4HNPC1RAB9AMAPT
SCHEMBL9126133 0.85 NPC1 (0.63) MAPK14LTA4HNPC1RAB9AMAPT
SCHEMBL6079375 0.84 LTA4H (0.61) MAPK14LTA4HIDO1NPC1RAB9A
SCHEMBL9127353 0.83 MAPK14 (0.55) MAPK14LTA4HNPC1RAB9AMAPT
SCHEMBL26916470 0.82 NPC1 (0.62) MAPK14LTA4HNPC1RAB9AMAPT
SCHEMBL29857864 0.82 NPC1 (0.62) MAPK14LTA4HNPC1RAB9AMAPT
SCHEMBL23536359 0.80 IDO1 (0.56) MAPK14IDO1AGXTDHFRDCPS
SCHEMBL6026598 0.79 RAB9A (0.65) NPC1RAB9AMAPTSMN1; SMN2PTGER1
SCHEMBL6079764 0.79 LTA4H (0.54) MAPK14LTA4HNPC1RAB9AMAPT
SCHEMBL29858025 0.79 LTA4H (0.67) MAPK14LTA4HIDO1AGXTNPC1

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 7 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
US-5409943-A [(alkoxy)pyridinyl]amine compounds which are useful in the treatment of gastrointestinal disorders SMITHKLINE BEECHAM INTERCREDIT B.V. (NL) 1995-04-25 US disclosed
EP-0625143-A1 PYRIDINE DERIVATIVES, THEIR PREPARATION AND USE AS MEDICINES SMITHKLINE BEECHAM INTERCREDIT B.V. (NL) 1994-11-23 EP disclosed
WO-1993015055-A1 PYRIDINE DERIVATIVES, THEIR PREPARATION AND USE AS MEDICINES SMITHKLINE BEECHAM INTERCREDIT B.V. (NL) 1993-08-05 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 MAPK14 20/4885LTA4H 4569/4885IDO1 1789/4885

“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.