SCHEMBL6335657

SCHEMBL6335657

CC(=O)NCCNc1nc(-c2ccc(F)cc2C)c2ccc(=O)n(-c3c(F)cccc3F)c2n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 8/20 0.45
MAPK13 O15264 6/20 0.45
MAPK12 P53778 6/20 0.45
MAPK11 Q15759 6/20 0.45
KCNH2 Q12809 1/20 0.43
ALDH1A1 P00352 3/20 0.34
CA12 O43570 1/20 0.34
CA4 P22748 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
CA14 Q9ULX7 1/20 0.34
CYP1A2 P05177 3/20 0.34
CLK4 Q9HAZ1 3/20 0.34
CTSA P10619 1/20 0.34
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33
CYP3A4 P08684 2/20 0.33
HSD17B10 Q99714 2/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 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
SCHEMBL10204383 0.92 MAPK14 (0.45) MAPK14MAPK13MAPK12MAPK11KCNH2
SCHEMBL10204364 0.92 MAPK14 (0.46) MAPK14MAPK13MAPK12MAPK11KCNH2
SCHEMBL10202435 0.91 MAPK14 (0.43) MAPK14MAPK13MAPK12MAPK11KCNH2
SCHEMBL12124794 0.91 MAPK14 (0.43) MAPK14MAPK13MAPK12MAPK11KCNH2
SCHEMBL1066948 0.91 MAPK14 (0.45) MAPK14MAPK13MAPK12MAPK11KCNH2
SCHEMBL12124870 0.90 MAPK14 (0.43) MAPK14MAPK13MAPK12MAPK11KCNH2
SCHEMBL10202434 0.90 MAPK13 (0.43) MAPK14MAPK13MAPK12MAPK11KCNH2
SCHEMBL1063681 0.90 MAPK14 (0.48) MAPK14MAPK13MAPK12MAPK11KCNH2
SCHEMBL1083107 0.89 MAPK13 (0.42) MAPK14MAPK13MAPK12MAPK11KCNH2
SCHEMBL1065873 0.89 MAPK13 (0.42) 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.