SCHEMBL6294043

SCHEMBL6294043

CCOC(=O)c1c(-c2ccncc2)c(-c2ccc(Cl)s2)n2c1CCC2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.42
MAPK1 P28482 1/20 0.42
ALDH1A1 P00352 5/20 0.41
HPGD P15428 3/20 0.41
HSD17B10 Q99714 2/20 0.41
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ALOX15 P16050 1/20 0.39
CDC7 O00311 5/20 0.39
DBF4 Q9UBU7 5/20 0.39
ACHE P22303 3/20 0.39
LMNA P02545 2/20 0.39
HTT P42858 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
PDE3B Q13370 2/20 0.38
PDE3A Q14432 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MAPT P10636 1/20 0.38
MAPK13 O15264 1/20 0.38
MAPK12 P53778 1/20 0.38

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
SCHEMBL6290797 0.93 ALDH1A1 (0.41) GAAMAPK1ALDH1A1HPGDHSD17B10
SCHEMBL7009127 0.85 SMN1; SMN2 (0.38) GAAMAPK1ALDH1A1HPGDHSD17B10
SCHEMBL6294039 0.85 ALDH1A1 (0.47) GAAMAPK1ALDH1A1HPGDHSD17B10
SCHEMBL7011496 0.83 NPSR1 (0.38) GAAMAPK1ALDH1A1HPGDHSD17B10
SCHEMBL6291300 0.81 KMT2A (0.51) GAAMAPK1ALDH1A1ACHELMNA
SCHEMBL6291391 0.81 KMT2A (0.51) GAAMAPK1ALDH1A1ACHELMNA
SCHEMBL6290028 0.78 KMT2A (0.47) GAAMAPK1ALDH1A1ALOX15ACHE
SCHEMBL6294501 0.77 KCNK3 (0.48) GAAMAPK1ALDH1A1HPGDHSD17B10
SCHEMBL6294493 0.75 KMT2A (0.51) GAAMAPK1ALDH1A1ACHELMNA
SCHEMBL6290050 0.75 KMT2A (0.51) GAAMAPK1ALDH1A1ACHELMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6867211-B2 4-Pyridyl-and 2,4-pyrimidinyl-substituted pyrrole derivatives and their use in pharmacy MERCKLE GMBH (DE) 2005-03-15 US disclosed
US-20030153558-A1 4-Pyridyl-and 2,4-pyrimidinyl-substituted pyrrole derivatives and their use in pharmacy MERCKLE GMBH (DE) 2003-08-14 US 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-20030153558-A1 4-Pyridyl-and 2,4-pyrimidinyl-substituted pyrrole derivatives and their use in pharmacy IL4, IL2, IL5 GAA 2000/4885MAPK1 1490/4885ALDH1A1 524/4885

“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.