SCHEMBL972999

SCHEMBL972999

c1cc2[nH]c3ccncc3c2cn1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.78
PARP1 P09874 2/20 0.61
KIF11 P52732 1/20 0.58
CHUK O15111 4/20 0.58
KDM4E B2RXH2 1/20 0.58
GABRP O00591 1/20 0.58
GABRD O14764 1/20 0.58
IKBKB O14920 1/20 0.58
AURKA O14965 1/20 0.58
ALDH1A1 P00352 1/20 0.58
PIM1 P11309 1/20 0.58
TOP1 P11387 1/20 0.58
GABRA1 P14867 1/20 0.58
IDO1 P14902 1/20 0.58
HPGD P15428 1/20 0.58
GABRB1 P18505 1/20 0.58
GABRG2 P18507 1/20 0.58
MAOA P21397 1/20 0.58
MAOB P27338 1/20 0.58
GABRB3 P28472 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
SCHEMBL29642993 1.00 ACHE (0.78) ACHEPARP1KIF11CHUKKDM4E
SCHEMBL29478498 0.91 CHUK (0.73) ACHEPARP1KIF11CHUKKDM4E
SCHEMBL12590220 0.91 CHUK (0.73) ACHEPARP1KIF11CHUKKDM4E
SCHEMBL121401 0.89 ACHE (1.00) ACHEPARP1KIF11CHUKKDM4E
SCHEMBL29382084 0.89 ACHE (1.00) ACHEPARP1KIF11CHUKKDM4E
Hydrochloric Acid SCHEMBL4436954 0.87 ACHE (0.96) ACHEPARP1KIF11CHUKKDM4E
Water SCHEMBL2197266 0.87 ACHE (0.96) ACHEPARP1KIF11CHUKKDM4E
Hydrochloric Acid SCHEMBL3234011 0.87 ACHE (0.96) ACHEPARP1KIF11CHUKKDM4E
SCHEMBL12396546 0.85 ACHE (0.61) ACHEPARP1KIF11CHUKKDM4E
SCHEMBL12166058 0.82 CHUK (0.77) ACHEPARP1KIF11CHUKGABRP

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 119 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102276514-B Fluorene-bridged blue phosphorescent main body material and preparation method and application thereof UNIV HUAZHONG SCIENCE TECH 2014-01-15 CN claimed
CN-102276514-A Fluorene-bridged blue phosphorescent main body material and preparation method and application thereof 2011-12-14 CN claimed
EP-1910379-B1 CASPASE INHIBITOR PRODRUGS VERTEX PHARMA (US) 2011-10-19 EP claimed
US-20110144074-A1 CASPASE INHIBITORS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-06-16 US claimed
US-7879891-B2 such as (S)-Carbazole-9-carboxylic acid 1-(3a-fluoromethyl-5-oxo-3a,5,6,6a-tetrahydro-furo[3,2-d]oxazol-2-yl)-2-methyl-propyl ester, used for the treatment of diseases related to inflammatory or degenerative conditions VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-02-01 US claimed
US-20090215736-A1 CASPASE INHIBITORS AND USES THEREOF VERTEX PHARMACEUTICALS, INCORPORATED (US) 2009-08-27 US claimed
US-7442790-B2 Caspase inhibitors and uses thereof VERTEX PHARMACEUTICALS, INCORPORATED (US) 2008-10-28 US claimed
EP-1923386-A2 Carbamate caspase inhibitors and uses thereof Vertex Pharmceuticals Incorporated (US) 2008-05-21 EP claimed
EP-1268425-B1 CARBAMATE CASPASE INHIBITORS AND USES THEREOF VERTEX PHARMA (US) 2008-01-23 EP claimed
US-20080015172-A1 CASPASE INHIBITORS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED 2008-01-17 US claimed
US-20070155718-A1 Caspase inhibitor prodrugs VERTEX PHARMACEUTICALS INCORPORATED 2007-07-05 US claimed
US-7074782-B2 Carbamate caspase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2006-07-11 US claimed
US-20040053920-A1 Carbamate caspase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED 2004-03-18 US claimed
EP-1392289-A2 CASPASE INHIBITORS AND USES THEREOF Vertex Pharmaceuticals Incorporated (US) 2004-03-03 EP claimed
US-20030092703-A1 Caspase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED 2003-05-15 US claimed
EP-1268425-A2 CARBAMATE CASPASE INHIBITORS AND USES THEREOF Vertex Pharmaceuticals Incorporated (US) 2003-01-02 EP claimed
WO-2002094263-A2 CASPASE INHIBITORS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED (US) 2002-11-28 WO claimed
US-20020028803-A1 Carbamate caspase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED 2002-03-07 US claimed
WO-2001072707-A2 CARBAMATE CASPASE INHIBITORS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED (US) 2001-10-04 WO claimed
EP-0197829-A1 5H-pyrido[3',4':4,5]pyrrolo[3,2-c]pyridine derivatives, process for their preparation and their antitunour activity SANOFI (FR) 1986-10-15 EP claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 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-20020028803-A1 Carbamate caspase inhibitors and uses thereof CASP1, CASP2, CASP3 ACHE 866/4885PARP1 1630/4885KIF11 4836/4885
US-20070155718-A1 Caspase inhibitor prodrugs CASP1, CASP5, CASP2 ACHE 1017/4885PARP1 252/4885KIF11 4772/4885
US-20080015172-A1 CASPASE INHIBITORS AND USES THEREOF CASP1, CASP2, CASP9 ACHE 3057/4885PARP1 1751/4885KIF11 4845/4885
US-20110144074-A1 CASPASE INHIBITORS AND USES THEREOF CASP1, CASP2, CASP9 ACHE 3179/4885PARP1 1806/4885KIF11 4873/4885
US-20040053920-A1 Carbamate caspase inhibitors and uses thereof CASP1, CASP2, CASP3 ACHE 866/4885PARP1 1630/4885KIF11 4836/4885
US-20090215736-A1 CASPASE INHIBITORS AND USES THEREOF CASP1, CASP2, CASP9 ACHE 3179/4885PARP1 1806/4885KIF11 4873/4885
US-20030092703-A1 Caspase inhibitors and uses thereof CASP1, CASP2, CASP3 ACHE 3635/4885PARP1 585/4885KIF11 4852/4885

“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.