SCHEMBL6079009

SCHEMBL6079009

Nc1ccc(Cl)c(COc2ccc(NCc3ccccc3)nc2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.42
MAPT P10636 2/20 0.42
TP53 P04637 1/20 0.42
BCL2L1 Q07817 1/20 0.41
DRD4 P21917 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
POLB P06746 1/20 0.40
MAOB P27338 3/20 0.40
MAOA P21397 1/20 0.40
RAB9A P51151 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HDAC1 Q13547 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
FYN P06241 1/20 0.39
FABP1 P07148 1/20 0.39
FABP6 P51161 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 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
SCHEMBL6078525 0.83 GCK (0.35) GAAMAPTTP53BCL2L1POLB
SCHEMBL6079232 0.81 CYP2D6 (0.37) SMN1; SMN2MAOBMEN1KMT2ACYP1A2
SCHEMBL7231916 0.74 FABP1 (0.58) TP53SMN1; SMN2POLBHDAC1MEN1
SCHEMBL6079701 0.74 GRM5 (0.37) BCL2L1POLBMAOB
SCHEMBL6079265 0.71 NOS1 (0.47) MAPTRAB9A
SCHEMBL5648300 0.68 CLK4 (0.47) GAAMAPTRAB9AFYNCLK4
SCHEMBL20731983 0.67 FYN (0.59) TP53HDAC1FYNEGFR
SCHEMBL1552689 0.66 P4HTM (0.54) GAAMAPTSMN1; SMN2MAOBMAOA
SCHEMBL6079807 0.66 NPC1 (0.57) MAPTBCL2L1SMN1; SMN2POLBMAOB
SCHEMBL30592887 0.66 NPC1 (0.61) MAPTRAB9AHDAC1MEN1KMT2A

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 GAA 4857/4885MAPT 2630/4885TP53 2838/4885

“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.