SCHEMBL6867979

SCHEMBL6867979

CN1C(=O)C(Br)=C(c2c(CCc3cc4ccccc4[nH]3)[nH]c3ccccc23)C1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.39
GSK3B P49841 1/20 0.39
CHRNA7 P36544 2/20 0.38
AHR P35869 2/20 0.38
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
HRH4 Q9H3N8 1/20 0.36
AKR1B1 P15121 1/20 0.36
SIRT2 Q8IXJ6 1/20 0.36
SIRT1 Q96EB6 1/20 0.36
CTSV O60911 1/20 0.36
CTSL P07711 1/20 0.36
LOXL2 Q9Y4K0 1/20 0.35
NPEPPS P55786 1/20 0.34
ADORA3 P0DMS8 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA2B P29275 1/20 0.33
ADORA1 P30542 1/20 0.33
CASR P41180 1/20 0.33
DRD2 P14416 1/20 0.33

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
SCHEMBL6867178 0.94 CTSV (0.41) HRH3GSK3BCHRNA7AHRMTNR1A
SCHEMBL6865687 0.93 CTSV (0.43) HRH3GSK3BCHRNA7AHRMTNR1A
SCHEMBL6867285 0.89 GSK3B (0.46) GSK3BSIRT2SIRT1NPEPPSADORA3
SCHEMBL6991740 0.84 GSK3B (0.44) GSK3BSIRT2SIRT1NPEPPSADORA3
SCHEMBL6867603 0.84 GSK3B (0.44) GSK3BSIRT2SIRT1CTSVCTSL
SCHEMBL6860151 0.83 GSK3B (0.43) GSK3BSIRT2SIRT1CTSVCTSL
SCHEMBL6864924 0.83 GSK3B (0.43) GSK3BSIRT2SIRT1CTSVCTSL
SCHEMBL6865292 0.83 GSK3B (0.43) GSK3BSIRT2SIRT1CTSVCTSL
SCHEMBL7002332 0.83 GSK3B (0.43) GSK3BSIRT2SIRT1CTSVCTSL
SCHEMBL6955651 0.75 GSK3B (0.54) GSK3BAHRSIRT2SIRT1ADORA3

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-6812243-B2 AS TYROSINE KINASE INHIBITORS; FOR THERARPY OF TUMORS, ARTERIOSCLEROSIS, RESTENOSIS AFTER BALLOON ANGIOPLASTY, ARTHRITIS AND FIBROTIC DISEASES ZENTARIS AG (DE) 2004-11-02 US disclosed
US-20030008898-A1 Indole derivatives and their use for the treatment of malignant and other diseases based on pathological proliferation ZENTARIS AG (DE) 2003-01-09 US disclosed
EP-1109785-B1 INDOLE DERIVATIVES AND THEIR USE IN THE TREATMENT OF MALIGNANT AND OTHER DISEASES CAUSED BY PATHOLOGICAL CELL PROLIFERATION ZENTARIS AG (DE) 2003-01-02 EP disclosed
US-6407102-B1 TYROSINE KINASE AND PLATELET-DERIVED GROWTH FACTOR INHIBITORS; ANTICARCINOGENIC, ANTITUMOR, ANTIARTHRITIC AND ANTIPROLIFERATIVE AGENTS; RESTENOSIS, ARTERIOSCLEROSIS ZENTARIS AG (DE) 2002-06-18 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-20030008898-A1 Indole derivatives and their use for the treatment of malignant and other diseases based on pathological proliferation MKI67, IDO1, CCNI HRH3 1571/4885GSK3B 92/4885CHRNA7 4294/4885

“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.