SCHEMBL6079321

SCHEMBL6079321

CC(C)(C)c1ccccc1NC(=O)Nc1ccc(F)c(COc2cccnc2)c1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 2/20 0.54
P2RY1 P47900 11/20 0.45
P2RY14 Q15391 2/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
LMNA P02545 2/20 0.43
TP53 P04637 1/20 0.43
HTT P42858 1/20 0.43
IDH1 O75874 1/20 0.42
KDM4E B2RXH2 1/20 0.42
HSD17B10 Q99714 1/20 0.42
LPAR1 Q92633 1/20 0.41
MAPT P10636 1/20 0.41
ATM Q13315 1/20 0.41
MAPK13 O15264 1/20 0.41
MAPK12 P53778 1/20 0.41
MAPK11 Q15759 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
SCHEMBL6206155 0.79 MAPK14 (0.49) MAPK14MEN1KMT2ALMNATP53
SCHEMBL6078757 0.78 RAB9A (0.56) MAPK14MEN1KMT2ATP53MAPK13
SCHEMBL6080170 0.76 NPC1 (0.51) MAPK14MEN1KMT2ALMNATP53
SCHEMBL6078971 0.74 MAPK14 (0.56) MAPK14MAPK13MAPK12MAPK11
SCHEMBL6079266 0.73 MAPK14 (0.67) MAPK14MEN1KMT2ALMNATP53
SCHEMBL6205063 0.72 NPC1 (0.46) MAPK14MEN1KMT2ALMNATP53
SCHEMBL3154595 0.71 P2RY1 (0.67) P2RY1P2RY14
SCHEMBL6079174 0.71 MAPK14 (0.74) MAPK14MEN1KMT2ALMNATP53
SCHEMBL3150448 0.71 P2RY1 (0.71) P2RY1P2RY14
SCHEMBL6230436 0.70 SIRT2 (0.57)

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 MAPK14 20/4885P2RY1 1018/4885P2RY14 1996/4885

“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.