SCHEMBL5097448

SCHEMBL5097448

Fc1ccc(Oc2ncc3c(-c4cccc(N5CCOCC5)c4)n[nH]c3n2)c(F)c1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 17/20 0.56
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
MAPK11 Q15759 1/20 0.44
MAP4K1 Q92918 1/20 0.41
MET P08581 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
SCHEMBL5100212 0.91 MAPK14 (0.60) MAPK14KDM4EALDH1A1NPSR1MAPK11
SCHEMBL5097367 0.90 MAPK14 (0.52) MAPK14MAPK11MAP4K1
SCHEMBL5100907 0.88 MAPK14 (0.56) MAPK14KDM4EALDH1A1NPSR1MAPK11
SCHEMBL5097124 0.81 MAPK14 (0.55) MAPK14MAPK11MAP4K1
SCHEMBL4015776 0.81 MAPK14 (0.65) MAPK14MAPK11
SCHEMBL3969566 0.76 MAPK14 (0.62) MAPK14MAPK11
SCHEMBL5106968 0.76 MAPK14 (0.53) MAPK14MAPK11
SCHEMBL5100172 0.75 MAPK14 (0.61) MAPK14MAPK11
SCHEMBL5100009 0.75 MAPK14 (0.61) MAPK14MAPK11
SCHEMBL5106939 0.75 MAPK14 (0.61) MAPK14MAPK11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7452880-B2 Substituted pyrazolo [3,4-d] pyrimidines and methods of using the same F. HOFFMANN-LA ROCHE AG (CH) 2008-11-18 US claimed
EP-1720878-A1 HETEROARYL-FUSED PYRAZOLO DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2006-11-15 EP claimed
WO-2005085248-A1 HETEROARYL-FUSED PYRAZOLO DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2005-09-15 WO claimed
US-7452880-B2 Substituted pyrazolo [3,4-d] pyrimidines and methods of using the same F. HOFFMANN-LA ROCHE AG (CH) 2008-11-18 US disclosed
US-7452880-B2 Substituted pyrazolo [3,4-d] pyrimidines and methods of using the same F. HOFFMANN-LA ROCHE AG (CH) 2008-11-18 US disclosed
US-7452880-B2 Substituted pyrazolo [3,4-d] pyrimidines and methods of using the same F. HOFFMANN-LA ROCHE AG (CH) 2008-11-18 US disclosed
US-20050203091-A1 Heteroaryl-fused pyrazolo derivatives and methods for using the same ROCHE PALO ALTO LLC 2005-09-15 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-20050203091-A1 Heteroaryl-fused pyrazolo derivatives and methods for using the same MAP3K1, MAP3K21, MAP3K2 MAPK14 48/4885KDM4E 3589/4885ALDH1A1 2726/4885

“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.