SCHEMBL6294049

SCHEMBL6294049

OCc1c(-c2ccncc2)c(-c2ccc(F)cc2)n2c1SCC2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 14/20 0.52
MAPK13 O15264 2/20 0.52
MAPK12 P53778 2/20 0.52
MAPK11 Q15759 2/20 0.52
KDM4E B2RXH2 1/20 0.51
CYP3A4 P08684 1/20 0.51
HPGD P15428 1/20 0.51
ALOX15 P16050 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
HSD17B10 Q99714 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
RIPK3 Q9Y572 3/20 0.40
TGFBR1 P36897 1/20 0.38
MAP4K4 O95819 1/20 0.38
MAPK9 P45984 1/20 0.38
CSNK1A1 P48729 1/20 0.38
CSNK1D P48730 1/20 0.38
CDC42BPA Q5VT25 1/20 0.38
AURKB Q96GD4 1/20 0.38
MAP4K5 Q9Y4K4 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
SCHEMBL6294480 0.81 MAPK14 (0.55) MAPK14MAPK13MAPK12MAPK11KDM4E
SCHEMBL6290801 0.80 MAPK14 (0.51) MAPK14MAPK13MAPK12MAPK11KDM4E
SCHEMBL7009622 0.77 MAPK14 (0.48) MAPK14MAPK13MAPK12MAPK11KDM4E
SCHEMBL6290029 0.77 KMT2A (0.47) MAPK14MAPK13MAPK12MAPK11RIPK3
SCHEMBL6291350 0.77 KMT2A (0.47) MAPK14MAPK13MAPK12MAPK11RIPK3
SCHEMBL6294505 0.76 MAPK14 (0.46) MAPK14MAPK13MAPK12MAPK11KDM4E
SCHEMBL6290810 0.76 RIPK3 (0.45) MAPK14MAPK13MAPK12MAPK11RIPK3
SCHEMBL7009071 0.75 MAPK14 (0.44) MAPK14MAPK13MAPK12MAPK11KDM4E
SCHEMBL6294026 0.74 MAPK14 (0.46) MAPK14MAPK13MAPK12MAPK11KDM4E
SCHEMBL6294551 0.74 MAPK14 (0.57) MAPK14MAPK13MAPK12MAPK11KDM4E

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 5 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
EP-1252163-B1 4-PYRIDYL-AND 2,4-PYRIMIDINYL-SUBSTITUTED PYRROLE DERIVATIVES AND THEIR USE IN PHARMACY MERCKLE GMBH (DE) 2003-09-24 EP 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
EP-1252163-A2 4-PYRIDYL-AND 2,4-PYRIMIDINYL-SUBSTITUTED PYRROLE DERIVATIVES AND THEIR USE IN PHARMACY MERCKLE GMBH (DE) 2002-10-30 EP disclosed
WO-2001057042-A2 4-PYRIDYL-AND 2,4-PYRIMIDINYL-SUBSTITUTED PYRROLE DERIVATIVES AND THEIR USE IN PHARMACY MERCKLE GMBH (DE) 2001-08-09 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-20030153558-A1 4-Pyridyl-and 2,4-pyrimidinyl-substituted pyrrole derivatives and their use in pharmacy IL4, IL2, IL5 MAPK14 2214/4885MAPK13 1822/4885MAPK12 2620/4885

“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.