SCHEMBL4717451

SCHEMBL4717451

Brc1cccc(-c2[c]cccc2)n1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 1/20 0.33
MAPK14 Q16539 1/20 0.33
MEN1 O00255 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRA3 P34903 1/20 0.31
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL714994 0.77 CCR1 (0.56) TGFBR1MEN1RAB9AKMT2A
SCHEMBL715045 0.77 MEN1 (0.61) MEN1RAB9AKMT2AHSD17B10
SCHEMBL29539234 0.73 CCR1 (0.46) TGFBR1MAPK14MEN1RAB9AKMT2A
SCHEMBL229994 0.73 CCR1 (0.46) TGFBR1MAPK14MEN1RAB9AKMT2A
SCHEMBL18422446 0.73 CTSS (0.42)
SCHEMBL31354842 0.71 CCR1 (0.46) TGFBR1MAPK14MEN1RAB9AKMT2A
SCHEMBL700152 0.71 CCR1 (0.46) TGFBR1MAPK14MEN1RAB9AKMT2A
SCHEMBL37815 0.69 KDM4E (0.54) RAB9AHSD17B10
SCHEMBL467101 0.69 RAB9A (0.47) MEN1RAB9AKMT2AHSD17B10
SCHEMBL3768 0.69 MEN1 (0.68) MEN1RAB9AKMT2AGABRA1GABRG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1248612-B1 NOVEL COMPOUNDS AND COMPOSITIONS AS PROTEASE INHIBITORS MERCK FROSST CANADA LTD (CA) 2008-02-27 EP disclosed
EP-1248612-A4 NOVEL COMPOUNDS AND COMPOSITIONS AS PROTEASE INHIBITORS MERCK FROSST CANADA INC (CA) 2005-09-07 EP disclosed
US-6525036-B2 Treating post-menopausal osteoporosis. MERCK & CO., INC. 2003-02-25 US disclosed
EP-1248612-A1 NOVEL COMPOUNDS AND COMPOSITIONS AS PROTEASE INHIBITORS MERCK FROSST CANADA INC. (CA) 2002-10-16 EP disclosed
WO-2002070519-A1 MONOBACTAMS AS CATHEPSIN K INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2002-09-12 WO disclosed
US-20020052378-A1 Novel compounds and compositions as protease inhibitors Celera Corporation 2002-05-02 US disclosed
WO-2001049288-A9 NOVEL COMPOUNDS AND COMPOSITIONS AS PROTEASE INHIBITORS MERCK FROSST CANADA INC (CA) 2001-10-25 WO disclosed
WO-2001049288-A1 NOVEL COMPOUNDS AND COMPOSITIONS AS PROTEASE INHIBITORS MERCK FROSST CANADA & CO. (CA) 2001-07-12 WO 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-20020052378-A1 Novel compounds and compositions as protease inhibitors SERPINB1, CTRL, SPINT2 TGFBR1 2053/4885MAPK14 2604/4885MEN1 3729/4885

“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.