SCHEMBL3254683

SCHEMBL3254683

COc1c(NC(=O)c2cc3c(NC(=O)c4cccnc4)cccc3s2)cc(C(C)(C)C)cc1NS(C)(=O)=O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 6/20 0.63
▸ LYN P07948 2/20 0.56
▸ MAPK9 P45984 2/20 0.56
▸ BRAF P15056 4/20 0.43
▸ MAPT P10636 1/20 0.43
▸ GSK3A P49840 1/20 0.41
▸ ABL1 P00519 1/20 0.40
▸ EGFR P00533 1/20 0.40
▸ RAF1 P04049 1/20 0.40
▸ EPHA2 P29317 1/20 0.40
▸ EPHA3 P29320 1/20 0.40
▸ AKT1 P31749 1/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ POLB P06746 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ TRPV1 Q8NER1 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40

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
SCHEMBL3257628 0.87 LYN (0.72) MAPK14LYNMAPK9BRAFMAPT
SCHEMBL13797932 0.87 MAPK14 (0.67) MAPK14LYNMAPK9BRAFMAPT
SCHEMBL13797991 0.87 MAPK14 (0.67) MAPK14LYNMAPK9BRAFGSK3A
SCHEMBL13797992 0.86 MAPK14 (0.74) MAPK14LYNMAPK9BRAFABL1
SCHEMBL3257780 0.85 LYN (0.56) MAPK14LYNMAPK9BRAFGSK3A
SCHEMBL13811218 0.85 MAPK14 (0.64) MAPK14LYNMAPK9BRAFGSK3A
SCHEMBL13797942 0.84 MAPK14 (0.63) MAPK14LYNMAPK9BRAFMAPT
SCHEMBL13359227 0.83 MAPK14 (0.74) MAPK14LYNMAPK9BRAF
SCHEMBL13359282 0.83 MAPK14 (0.66) MAPK14LYNMAPK9BRAFGSK3A
SCHEMBL13797988 0.83 MAPK14 (0.69) MAPK14LYNMAPK9BRAFGSK3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1497278-B1 HETEROCYCLIC AMIDE DERIVATIVES AS CYTOKINE INHIBITORS BOEHRINGER INGELHEIM PHARMA (US) 2010-05-26 — — EP disclosed
US-7550461-B2 Benzofuran and benzothiophene compounds useful in treating cytokine mediated diseases BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-06-23 — — US disclosed
US-7550461-B2 Benzofuran and benzothiophene compounds useful in treating cytokine mediated diseases BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-06-23 — — US disclosed
US-7550461-B2 Benzofuran and benzothiophene compounds useful in treating cytokine mediated diseases BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-06-23 — — US disclosed
US-20030225053-A1 Compounds useful in treating cytokine mediated diseases 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-20030225053-A1 Compounds useful in treating cytokine mediated diseases IL6, IL1A, IL1B MAPK14 2121/4885LYN 2917/4885MAPK9 1942/4885

“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.

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