SCHEMBL5487503

SCHEMBL5487503

Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(-c3ccc(CC4(O)CCNCC4)cc3)c3ccccc23)cn1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 11/20 0.55
TNF P01375 5/20 0.55
SRC P12931 4/20 0.54
ABL1 P00519 2/20 0.54
RAF1 P04049 2/20 0.54
LYN P07948 2/20 0.54
MAPK9 P45984 2/20 0.54
MAPK12 P53778 8/20 0.49
HCK P08631 5/20 0.47
MAPK13 O15264 2/20 0.47
MAPK11 Q15759 2/20 0.47
DDR2 Q16832 2/20 0.47
CIT O14578 1/20 0.46
MUSK O15146 1/20 0.46
MAP3K7 O43318 1/20 0.46
RIPK2 O43353 1/20 0.46
STK10 O94804 1/20 0.46
MAP4K4 O95819 1/20 0.46
CHEK2 O96017 1/20 0.46
EGFR P00533 1/20 0.46

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
SCHEMBL4088021 0.82 ABL1 (0.63) MAPK14TNFSRCABL1RAF1
SCHEMBL4095048 0.82 ABL1 (0.75) MAPK14TNFSRCABL1RAF1
SCHEMBL4092352 0.81 SRC (0.58) MAPK14TNFSRCABL1RAF1
SCHEMBL4091363 0.81 PTK2 (0.61) MAPK14TNFSRCABL1RAF1
SCHEMBL4096411 0.81 SRC (0.54) MAPK14TNFSRCABL1RAF1
SCHEMBL5989884 0.81 SRC (0.56) MAPK14TNFSRCABL1RAF1
SCHEMBL4085911 0.81 MAPK14 (0.53) MAPK14TNFSRCABL1RAF1
SCHEMBL4095787 0.81 MAPK14 (0.62) MAPK14TNFSRCABL1RAF1
SCHEMBL4085915 0.80 SRC (0.58) MAPK14TNFSRCABL1RAF1
SCHEMBL4088539 0.80 MAPK14 (0.57) MAPK14TNFSRCABL1RAF1

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-20070123516-A1 Method of treating mucus hypersecretion BOEHRINGER INGELHEIM PHARMA GMBH & CO., KG (DE) 2007-05-31 US claimed
US-20030220336-A1 Method of treating mucus hypersecretion BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2003-11-27 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 (2 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-20070123516-A1 Method of treating mucus hypersecretion MUC1, CFTR, MAPKAPK5 MAPK14 44/4885TNF 707/4885SRC 1828/4885
US-20030220336-A1 Method of treating mucus hypersecretion MUC1, CFTR, MAPKAPK5 MAPK14 44/4885TNF 707/4885SRC 1828/4885

“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.