SCHEMBL990904

SCHEMBL990904

CC(C)CNc1cc(-c2[nH]nnc2-c2ccc(F)cc2)ccc1N

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 8/20 0.39
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
HSD17B10 Q99714 1/20 0.36
HDAC2 Q92769 9/20 0.35
HDAC1 Q13547 5/20 0.35
TTK P33981 1/20 0.32
MAPK13 O15264 1/20 0.32
MAPK12 P53778 1/20 0.32
MAPK11 Q15759 1/20 0.32
ADORA2A P29274 1/20 0.31
ADORA2B P29275 1/20 0.31
ADORA1 P30542 1/20 0.31

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
SCHEMBL990761 0.90 HDAC1 (0.39) MAPK14KDM4EALDH1A1GAAHDAC2
SCHEMBL989883 0.74 HDAC1 (0.37) MAPK14KDM4EALDH1A1GAAHPGD
SCHEMBL990178 0.68 HDAC1 (0.40) MAPK14HDAC2HDAC1ADORA2AADORA1
SCHEMBL25220966 0.67 MAPK14 (0.57) MAPK14KDM4EALDH1A1HPGDALOX15
SCHEMBL6626583 0.67 MAPK14 (0.57) MAPK14KDM4EALDH1A1HPGDALOX15
SCHEMBL28327757 0.67 MAPK14 (0.49) MAPK14ALOX15MAPK13MAPK12MAPK11
SCHEMBL2666956 0.66 DYRK1A (0.38) KDM4EALDH1A1GAAHDAC2HDAC1
SCHEMBL1015114 0.65 MAPK14 (0.41) MAPK14KDM4EALDH1A1GAAHPGD
SCHEMBL28327758 0.64 PTGS1 (0.42) MAPK14ALDH1A1MAPK13MAPK12MAPK11
SCHEMBL1341810 0.64 TDP1 (0.43) ALDH1A1GAAHPGDALOX15HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7863310-B2 Kinase inhibitors ELI LILLY AND COMPANY (US) 2011-01-04 US disclosed
US-20080227839-A1 Kinase Inhibitors ELI LILLY AND COMPANY 2008-09-18 US disclosed
EP-1720862-A1 KINASE INHIBITORS ELI LILLY AND COMPANY (US) 2006-11-15 EP disclosed
WO-2005080380-A1 KINASE INHIBITORS ELI LILLY AND COMPANY (US) 2005-09-01 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-20080227839-A1 Kinase Inhibitors ABL1, MAP3K20, MAP3K19 MAPK14 341/4885KDM4E 900/4885ALDH1A1 3631/4885

“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.