SCHEMBL6079773

SCHEMBL6079773

O=C(Nc1ccc(F)c(COc2cnccn2)c1)Nc1nnc(CC2CC2)s1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.44
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
HTT P42858 2/20 0.44
PTPRE P23469 2/20 0.44
GLS O94925 2/20 0.42
BLM P54132 4/20 0.42
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.40
WRN Q14191 2/20 0.39
ATM Q13315 1/20 0.39
ALDH1A1 P00352 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
POLB P06746 2/20 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
SCHEMBL6204115 0.95 PTPRE (0.41) MAPTMEN1KMT2AHTTPTPRE
SCHEMBL6270885 0.91 MAPT (0.41) MAPTMEN1KMT2AHTTPTPRE
SCHEMBL6079234 0.85 ABL1 (0.54) MAPTMEN1KMT2AHTTRAB9A
SCHEMBL6079674 0.82 RAB9A (0.49) MAPTMEN1KMT2AHTTPTPRE
SCHEMBL6078723 0.82 BLM (0.43) MAPTMEN1KMT2AHTTPTPRE
SCHEMBL6080735 0.82 BLM (0.55) MAPTMEN1KMT2AHTTBLM
SCHEMBL6078996 0.82 BRAF (0.50) MAPTPTPREBLMRAB9ANPC1
SCHEMBL6079515 0.81 BLM (0.42) MAPTMEN1KMT2AHTTPTPRE
SCHEMBL6080568 0.77 KMT2A (0.48) MAPTMEN1KMT2ABLMRAB9A
SCHEMBL6084065 0.77 CNR1 (0.53) MAPTMEN1KMT2AHTTBLM

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 MAPT 2630/4885MEN1 4610/4885KMT2A 2277/4885

“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.