SCHEMBL989935

SCHEMBL989935

CC(C)Nc1cc(-c2[nH]c(-c3ccccc3)nc2-c2ccccc2)ccc1N

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 10/20 0.50
MAPK12 P53778 10/20 0.50
MAPK11 Q15759 10/20 0.50
MAPK14 Q16539 10/20 0.50
NOX1 Q9Y5S8 1/20 0.49
GCGR P47871 3/20 0.49
RAF1 P04049 6/20 0.48
MAPK9 P45984 2/20 0.47
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
GLA P06280 2/20 0.46
GAA P10253 2/20 0.46
HPGD P15428 2/20 0.46
KMT2A Q03164 2/20 0.46
PTPN1 P18031 1/20 0.45
TP53 P04637 3/20 0.44
MAPT P10636 3/20 0.44
MEN1 O00255 1/20 0.44
BRAF P15056 1/20 0.44
ALOX5 P09917 1/20 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
SCHEMBL5985861 0.85 MAPK14 (0.46) MAPK13MAPK12MAPK11MAPK14GCGR
SCHEMBL989125 0.81 MAPK14 (0.46) MAPK13MAPK12MAPK11MAPK14NOX1
SCHEMBL989883 0.79 HDAC1 (0.37) MAPK14KDM4EALDH1A1GAAHPGD
SCHEMBL11696736 0.77 HDAC2 (0.57) KDM4EALDH1A1GAAHPGDKMT2A
SCHEMBL989296 0.74 MAPK14 (0.52) MAPK14
SCHEMBL5074753 0.73 MAPK13 (0.83) MAPK13MAPK12MAPK11MAPK14NOX1
SCHEMBL3409732 0.72 MAPK14 (0.71) MAPK13MAPK12MAPK11MAPK14NOX1
SCHEMBL16667652 0.72 MAPK13 (0.83) MAPK13MAPK12MAPK11MAPK14NOX1
SCHEMBL104130 0.72 MAPK13 (0.82) MAPK13MAPK12MAPK11MAPK14NOX1
Benzene SCHEMBL28852698 0.72 MAPK13 (0.82) MAPK13MAPK12MAPK11MAPK14NOX1

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 MAPK13 249/4885MAPK12 290/4885MAPK11 369/4885

“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.