SCHEMBL6294490

SCHEMBL6294490

CCOC(=O)c1c(-c2ccncc2)c2n(c1-c1ccc(F)cc1)CCCC2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.47
RIPK3 Q9Y572 6/20 0.46
MAPK14 Q16539 4/20 0.45
PDE3B Q13370 1/20 0.45
PDE3A Q14432 1/20 0.45
ACHE P22303 4/20 0.44
CACNB4 O00305 2/20 0.44
CACNA1A O00555 2/20 0.44
CACNA1G O43497 2/20 0.44
CACNG3 O60359 2/20 0.44
CACNA1F O60840 2/20 0.44
CACNA1H O95180 2/20 0.44
CACNB3 P54284 2/20 0.44
CACNA2D1 P54289 2/20 0.44
CACNG7 P62955 2/20 0.44
CACNA1B Q00975 2/20 0.44
CACNA1D Q01668 2/20 0.44
CACNB1 Q02641 2/20 0.44
CACNG1 Q06432 2/20 0.44
CACNB2 Q08289 2/20 0.44

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
SCHEMBL6290050 0.97 KMT2A (0.51) KMT2ARIPK3MAPK14PDE3BPDE3A
SCHEMBL6294493 0.97 KMT2A (0.51) KMT2ARIPK3MAPK14PDE3BPDE3A
SCHEMBL6290028 0.92 KMT2A (0.47) KMT2ARIPK3MAPK14PDE3BPDE3A
SCHEMBL6291391 0.89 KMT2A (0.51) KMT2ARIPK3MAPK14PDE3BPDE3A
SCHEMBL6291300 0.89 KMT2A (0.51) KMT2ARIPK3MAPK14PDE3BPDE3A
SCHEMBL7008081 0.84 MAPK14 (0.44) KMT2ARIPK3MAPK14PDE3BPDE3A
SCHEMBL6485382 0.84 KMT2A (0.50) KMT2APDE3BPDE3AACHECACNB4
SCHEMBL7006189 0.82 RIPK3 (0.44) KMT2ARIPK3MAPK14PDE3BPDE3A
SCHEMBL6294026 0.82 MAPK14 (0.46) KMT2ARIPK3MAPK14ALDH1A1ALOX15
SCHEMBL7006565 0.81 MAPK14 (0.44) KMT2ARIPK3MAPK14PDE3BPDE3A

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 KMT2A 4671/4885RIPK3 2758/4885MAPK14 2214/4885

“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.