SCHEMBL6327181

SCHEMBL6327181

Cc1cc(F)ccc1-c1nc(NCCCO)nc2c1ccc(=O)n2-c1c(F)cccc1F

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 9/20 0.47
MAPK13 O15264 6/20 0.47
MAPK12 P53778 6/20 0.47
MAPK11 Q15759 6/20 0.47
KCNH2 Q12809 1/20 0.44
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
ADORA2A P29274 1/20 0.36
SYK P43405 1/20 0.35
GAA P10253 1/20 0.35
KCNH3 Q9ULD8 1/20 0.35
BRD4 O60885 1/20 0.34
CTSA P10619 1/20 0.33
KMT2A Q03164 1/20 0.33
ATM Q13315 1/20 0.33

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
SCHEMBL1063681 0.95 MAPK14 (0.48) MAPK14MAPK13MAPK12MAPK11KCNH2
SCHEMBL1066069 0.90 MAPK14 (0.48) MAPK14MAPK13MAPK12MAPK11KCNH2
SCHEMBL5105058 0.90 MAPK14 (0.45) MAPK14MAPK13MAPK12MAPK11KCNH2
SCHEMBL1065696 0.89 MAPK14 (0.50) MAPK14MAPK13MAPK12MAPK11KCNH2
SCHEMBL12124801 0.89 MAPK14 (0.43) MAPK14MAPK13MAPK12MAPK11KCNH2
SCHEMBL5111556 0.89 MAPK14 (0.45) MAPK14MAPK13MAPK12MAPK11KCNH2
SCHEMBL1065493 0.88 MAPK14 (0.40) MAPK14MAPK13MAPK12MAPK11KCNH2
SCHEMBL1065206 0.88 MAPK14 (0.52) MAPK14MAPK13MAPK12MAPK11KCNH2
SCHEMBL6335657 0.88 MAPK14 (0.45) MAPK14MAPK13MAPK12MAPK11KCNH2
SCHEMBL10202440 0.88 MAPK14 (0.47) MAPK14MAPK13MAPK12MAPK11KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050203109-A1 Novel Compounds SMITHKLINE BEECHAM CORPORATION 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-20050203109-A1 Novel Compounds MAPKAPK2, CREBBP, CDC42BPB MAPK14 42/4885MAPK13 43/4885MAPK12 85/4885

“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.