SCHEMBL6546353

SCHEMBL6546353

CCNC(=O)N1CCN(Cc2cc(Oc3ccc(NC(=O)Nc4cc(C(C)(C)C)cc(NS(C)(=O)=O)c4OC)c4ccccc34)ccn2)CC1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SRC P12931 10/20 0.62
SYK P43405 9/20 0.62
MAPK14 Q16539 8/20 0.62
GSK3A P49840 16/20 0.61
ABL1 P00519 1/20 0.58
EGFR P00533 1/20 0.58
RAF1 P04049 1/20 0.58
LYN P07948 1/20 0.58
BRAF P15056 1/20 0.58
EPHA2 P29317 1/20 0.58
EPHA3 P29320 1/20 0.58
AKT1 P31749 1/20 0.58
MAPK9 P45984 1/20 0.58

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
SCHEMBL6546385 0.93 SRC (0.64) SRCSYKMAPK14GSK3AABL1
SCHEMBL6546419 0.92 GSK3A (0.53) SRCSYKMAPK14GSK3A
SCHEMBL6546050 0.92 SRC (0.65) SRCSYKMAPK14GSK3AABL1
SCHEMBL6545958 0.91 SRC (0.72) SRCSYKMAPK14GSK3A
SCHEMBL6547368 0.91 GSK3A (0.68) SRCSYKMAPK14GSK3AABL1
SCHEMBL6546211 0.90 SRC (0.61) SRCSYKMAPK14GSK3AABL1
SCHEMBL6547661 0.90 GSK3A (0.68) SRCSYKMAPK14GSK3AABL1
SCHEMBL6546047 0.90 SRC (0.58) SRCSYKMAPK14GSK3A
SCHEMBL6546644 0.90 GSK3A (0.61) SRCSYKMAPK14GSK3A
SCHEMBL6545911 0.88 GSK3A (0.69) SRCSYKMAPK14GSK3AABL1

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
EP-1381592-A1 1,4-DISUBSTITUTED BENZO-FUSED COMPOUNDS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2004-01-21 EP claimed
US-20030083333-A1 1,4-Disubstituted benzo-fused compounds BOEHRINGER INTELHEIM PHARMACEUTICALS, INC. 2003-05-01 US claimed
WO-2002083628-A1 1,4-DISUBSTITUTED BENZO-FUSED COMPOUNDS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2002-10-24 WO claimed
US-6765009-B2 N-(5-TERT-BUTYL-3-(3-(4-((2-DIMETHYLAMINOMETHYL-PYRIDIN-4-YL) -PIPERAZIN-1-YL-METHYL) NAPHTHALEN-1-YL)UREIDO)-2-METHOXYPHENYL) METHANESULFONAMIDE FOR EXAMPLE; CYTOKINE INHIBITORS FOR TREATMENT OF INFLAMMATORY DISEASES BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2004-07-20 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-20030083333-A1 1,4-Disubstituted benzo-fused compounds RELA, NFKBIA, NQO1 SRC 2052/4885SYK 1058/4885MAPK14 3841/4885

“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.