SCHEMBL5735563

SCHEMBL5735563

Cc1cn(C(=O)OC(C)(C)C)c2ccc(Br)cc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
CDK1 P06493 2/20 0.42
CCNB2 O95067 1/20 0.42
CCNB1 P14635 1/20 0.42
GSK3B P49841 1/20 0.42
CCNB3 Q8WWL7 1/20 0.42
GAA P10253 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
LMNA P02545 1/20 0.38
KRAS P01116 5/20 0.38
EPHX1 P07099 1/20 0.38
USP30 Q70CQ3 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PIM1 P11309 1/20 0.36
MARK3 P27448 1/20 0.36
MAP4K2 Q12851 1/20 0.36
CAMK2B Q13554 1/20 0.36
PIM3 Q86V86 1/20 0.36

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
SCHEMBL29754156 0.85 HTR6 (0.46) HTR6L3MBTL1CDK1CCNB2CCNB1
SCHEMBL12615032 0.85 HTR6 (0.46) HTR6L3MBTL1CDK1CCNB2CCNB1
SCHEMBL1846302 0.85 HTR6 (0.46) HTR6L3MBTL1CDK1CCNB2CCNB1
SCHEMBL5999988 0.84 HTR6 (0.62) HTR6L3MBTL1GAASMN1; SMN2LMNA
SCHEMBL26204111 0.84 HTR6 (0.45) HTR6L3MBTL1CDK1CCNB2CCNB1
SCHEMBL15059343 0.84 KRAS (0.48) HTR6L3MBTL1CDK1CCNB2CCNB1
SCHEMBL18555717 0.84 HTR6 (0.45) HTR6L3MBTL1CDK1CCNB2CCNB1
SCHEMBL14077946 0.84 HTR6 (0.56) HTR6L3MBTL1CDK1CCNB2CCNB1
SCHEMBL2115428 0.83 HTR6 (0.46) HTR6L3MBTL1LMNAEPHX1MEN1
SCHEMBL23218891 0.83 HTR6 (0.55) HTR6L3MBTL1CDK1CCNB2CCNB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2822931-B1 TRIAZOLONE COMPOUNDS AND USES THEREOF INCEPTION 2 INC (US) 2017-05-03 EP disclosed
US-20170066717-A1 NEW PHENYLAZETIDINECARBOXYLATE OR -CARBOXAMIDE COMPOUNDS INVENTIVA (FR) 2017-03-09 US disclosed
EP-3107910-A1 NEW PHENYLAZETIDINE, CARBOXYLATE OR CARBOXAMIDE COMPOUNDS INVENTIVA (FR) 2016-12-28 EP disclosed
WO-2015124868-A1 NEW PHENYLAZETIDINE, CARBOXYLATE OR CARBOXAMIDE COMPOUNDS INVENTIVA (FR) 2015-08-27 WO disclosed
EP-1349833-B1 INDOLE AND DIHYDROINDOLE DERIVATIVES HOFFMANN LA ROCHE (CH) 2006-04-19 EP disclosed
EP-1349833-A1 INDOLE AND DIHYDROINDOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2003-10-08 EP disclosed
US-6503907-B2 Indole derivatives or dihydroindole derivatives or salts are useful for the treatment of diseases associated with 2,3-oxidosqualene-lanosterol cyclase such as gallstone, tumorhypercholesterolemia, hyperlipemia, arterioscerosis etc. HOFFMANN-LA ROCHE INC. 2003-01-07 US disclosed
US-20020103247-A1 Indole derivatives or dihydroindole derivatives or salts are useful for the treatment of diseases associated with 2,3-oxidosqualene-lanosterol cyclase such as gallstone, tumorhypercholesterolemia, hyperlipemia, arterioscerosis etc. HOFFMANN-LA ROCHE INC. 2002-08-01 US disclosed
WO-2002044149-A1 INDOLE AND DIHYDROINDOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2002-06-06 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 (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-20170066717-A1 NEW PHENYLAZETIDINECARBOXYLATE OR -CARBOXAMIDE COMPOUNDS NCOR1, NCOR2, NCOA1 HTR6 603/4885L3MBTL1 3606/4885CDK1 1502/4885
US-20020103247-A1 Indole derivatives or dihydroindole derivatives or salts are useful for the treatment of diseases associated with 2,3-oxidosqualene-lanosterol cyclase such as gallstone, tumorhypercholesterolemia, hyperlipemia, arterioscerosis etc. LSS, CYP51A1, DHCR7 HTR6 2870/4885L3MBTL1 1622/4885CDK1 3545/4885

“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.