SCHEMBL5832004

SCHEMBL5832004

Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(-c3cnc(NC4CCOCC4)cn3)c3ccccc23)cn1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 12/20 0.60
TNF P01375 7/20 0.60
ABL1 P00519 2/20 0.54
RAF1 P04049 2/20 0.54
LYN P07948 2/20 0.54
SRC P12931 2/20 0.54
MAPK9 P45984 2/20 0.54
MAPK12 P53778 5/20 0.51
MAPK13 O15264 3/20 0.51
MAPK11 Q15759 3/20 0.51
DDR2 Q16832 3/20 0.51
HCK P08631 2/20 0.51
CIT O14578 1/20 0.51
MUSK O15146 1/20 0.51
MAP3K7 O43318 1/20 0.51
RIPK2 O43353 1/20 0.51
STK10 O94804 1/20 0.51
MAP4K4 O95819 1/20 0.51
CHEK2 O96017 1/20 0.51
EGFR P00533 1/20 0.51

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
SCHEMBL4092893 0.92 MAPK14 (0.54) MAPK14TNFABL1RAF1LYN
SCHEMBL4092399 0.92 ABL1 (0.62) MAPK14TNFABL1RAF1LYN
SCHEMBL4081253 0.84 ABL1 (0.62) MAPK14TNFABL1RAF1LYN
SCHEMBL4096809 0.84 MAPK14 (0.65) MAPK14TNFABL1RAF1LYN
SCHEMBL4095625 0.84 SRC (0.56) MAPK14TNFABL1RAF1LYN
SCHEMBL4092864 0.83 ABL1 (0.73) MAPK14TNFABL1RAF1LYN
SCHEMBL4094274 0.83 MAPK14 (0.58) MAPK14TNFABL1RAF1LYN
SCHEMBL4085378 0.82 SRC (0.54) MAPK14TNFABL1RAF1LYN
SCHEMBL4081491 0.81 ABL1 (0.69) MAPK14TNFABL1RAF1LYN
SCHEMBL4092120 0.78 MAPK14 (0.71) MAPK14TNFABL1RAF1LYN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7026476-B2 Intermediate arylamine compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2006-04-11 US disclosed
US-20030225077-A1 Intermediate arylamine compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2003-12-04 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-20030225077-A1 Intermediate arylamine compounds AHR, AADAC, NAT1 MAPK14 2681/4885TNF 257/4885ABL1 310/4885

“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.