SCHEMBL6294549

SCHEMBL6294549

O=C1OCC(c2ccc(F)cc2)=C1c1ccncc1

nearest known ligand 0.73

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 6/20 0.73
PTGS2 P35354 2/20 0.62
KMT2A Q03164 1/20 0.56
MAPK14 Q16539 2/20 0.53
NR3C2 P08235 1/20 0.52

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
SCHEMBL5698483 1.00 PTGS1 (0.73) PTGS1PTGS2KMT2AMAPK14NR3C2
SCHEMBL6509069 0.85 PTGS1 (1.00) PTGS1PTGS2KMT2ANR3C2
SCHEMBL1557809 0.84 PTGS2 (0.62) PTGS1PTGS2KMT2A
SCHEMBL12404397 0.84 PTGS1 (0.69) PTGS1PTGS2KMT2A
SCHEMBL14516360 0.77 PTGS1 (1.00) PTGS1PTGS2KMT2A
SCHEMBL22246091 0.77 PTGS1 (0.63) PTGS1PTGS2KMT2ANR3C2
SCHEMBL3248190 0.77 PTGS1 (1.00) PTGS1PTGS2KMT2A
SCHEMBL3873376 0.77 PTGS2 (1.00) PTGS1PTGS2
SCHEMBL27470184 0.76 PTGS1 (0.66) PTGS1PTGS2KMT2ANR3C2
SCHEMBL22246047 0.75 KMT2A (0.49) PTGS1PTGS2KMT2A

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 PTGS1 51/4885PTGS2 70/4885KMT2A 4671/4885

“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.