SCHEMBL6079669

SCHEMBL6079669

CC(C)(C)c1cc(C(=O)Nc2ccc(F)c(COc3cnccn3)c2)cc(C(C)(C)C)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
RAB9A P51151 3/20 0.42
NPC1 O15118 2/20 0.42
TP53 P04637 1/20 0.42
MAPT P10636 1/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
GALR3 O60755 1/20 0.41
MAPK1 P28482 1/20 0.41
NAMPT P43490 2/20 0.41
ACKR3 P25106 1/20 0.40
BRAF P15056 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TRPV1 Q8NER1 1/20 0.39
NR1H4 Q96RI1 1/20 0.39
MAPK13 O15264 1/20 0.39
MAPK12 P53778 1/20 0.39

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
SCHEMBL6079886 0.93 RAB9A (0.51) RAB9ANPC1TP53MAPTNFKB1
SCHEMBL6078849 0.92 BRAF (0.48) HDAC6BRAFL3MBTL1NR1H4MEN1
SCHEMBL6238276 0.88 EGFR (0.40) ACKR3BRAFMAPK13MAPK12MAPK11
SCHEMBL6240754 0.83 RAB9A (0.49) RAB9ANPC1TP53MAPTNFKB1
SCHEMBL6079858 0.82 SYK (0.45) NAMPTKMT2A
SCHEMBL6237222 0.78 MAPK14 (0.54) MAPTMAPK1BRAFMAPK13MAPK12
SCHEMBL6079788 0.78 MEN1 (0.52) MEN1KMT2A
SCHEMBL6080568 0.78 KMT2A (0.48) RAB9ANPC1MAPTSMN1; SMN2MAPK1
SCHEMBL6080365 0.75 NPC1 (0.49) RAB9ANPC1TP53MAPTNFKB1
SCHEMBL6079909 0.75 MAPK14 (0.56) MAPK13MAPK12MAPK11MAPK14

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 HDAC3 285/4885HDAC6 846/4885RAB9A 2580/4885

“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.