SCHEMBL612900

SCHEMBL612900

O=c1[nH][nH]c2cc(Cl)ccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 4/20 1.00
METAP2 P50579 1/20 0.59
PARP1 P09874 1/20 0.55
GRIN2D O15399 2/20 0.52
GRIN3B O60391 2/20 0.52
GRIN1 Q05586 2/20 0.52
GRIN2A Q12879 2/20 0.52
GRIN2B Q13224 2/20 0.52
GRIN2C Q14957 2/20 0.52
GRIN3A Q8TCU5 2/20 0.52
ALDH1A1 P00352 1/20 0.52
ALOX5 P09917 1/20 0.50
TP53 P04637 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
LMNA P02545 1/20 0.47
CA12 O43570 1/20 0.44
CA9 Q16790 1/20 0.44
CHEK1 O14757 1/20 0.44
AURKA O14965 1/20 0.44
DAPK3 O43293 1/20 0.44

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
SCHEMBL612899 0.83 DAO (0.70) DAOMETAP2PARP1GRIN2DGRIN3B
SCHEMBL3592593 0.82 DAO (0.69) DAOMETAP2PARP1GRIN2DGRIN3B
SCHEMBL8874832 0.77 PARP1 (0.75) DAOPARP1GRIN2DGRIN3BGRIN1
SCHEMBL3034134 0.75 PARP1 (0.67) DAOPARP1GRIN2DGRIN3BGRIN1
SCHEMBL30013261 0.75 PARP1 (0.67) DAOPARP1GRIN2DGRIN3BGRIN1
SCHEMBL15333160 0.74 METAP2 (1.00) DAOMETAP2ALOX5TP53LMNA
SCHEMBL31456431 0.74 METAP2 (1.00) DAOMETAP2ALOX5TP53LMNA
SCHEMBL3477487 0.74 DAO (1.00) DAOMETAP2PARP1ALDH1A1ALOX5
SCHEMBL8649896 0.74 DAO (0.59) DAOMETAP2PARP1ALDH1A1ALOX5
SCHEMBL13213412 0.74 DAO (0.59) DAOMETAP2PARP1ALDH1A1ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0684509-B1 Contrast-promoting agents in graphic arts media IMATION CORP (US) 1999-10-20 EP claimed
EP-0684509-A1 Contrast-promoting agents in graphic arts media MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1995-11-29 EP claimed
US-5415975-A Contrast-promoting agents in graphic arts media MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1995-05-16 US claimed
EP-3808739-A1 ISOINDOLINONE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE Vertex Pharmaceuticals Incorporated (US) 2021-04-21 EP disclosed
EP-3309152-B1 ISOINDOLINONE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE VERTEX PHARMA (US) 2020-09-09 EP disclosed
US-10183933-B2 Isoindolinone inhibitors of phosphatidylinositol 3-kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2019-01-22 US disclosed
EP-3309152-A1 ISOINDOLINONE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE Vertex Pharmaceuticals Incorporated (US) 2018-04-18 EP disclosed
EP-2516417-B1 ISOINDOLINONE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE VERTEX PHARMA (US) 2017-10-11 EP disclosed
US-20170260175-A1 ISOINDOLINONE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE VERTEX PHARMACEUTICALS INCORPORATED 2017-09-14 US disclosed
US-9676759-B2 Isoindolinone inhibitors of phosphatidylinositol 3-kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-06-13 US disclosed
US-20140038936-A1 ISOINDOLINONE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE VERTEX PHARMACEUTICALS INCORPORATED 2014-02-06 US disclosed
US-20120202784-A1 ISOINDOLINONE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-08-09 US disclosed
US-20120040950-A1 ISOINDOLINONE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-02-16 US disclosed
WO-2011087776-A1 ISOINDOLINONE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-21 WO disclosed
EP-1610779-B1 3-OXO-1,3-DIHYDRO-INDAZOLE-2-CARBOXYLIC ACID AMIDE DERIVATIVES AS PHOSPHOLIPASE INHIBITORS LILLY CO ELI (US) 2009-09-09 EP disclosed
EP-1610779-B1 3-OXO-1,3-DIHYDRO-INDAZOLE-2-CARBOXYLIC ACID AMIDE DERIVATIVES AS PHOSPHOLIPASE INHIBITORS LILLY CO ELI (US) 2009-09-09 EP disclosed
US-20060211755-A1 3-oxo-1, 3-dihydro-indazole-2-carboxylic acid amide derivatives as phospholipase inhibitors ELI LILLY AND COMPANY PATENT DIVISION (US) 2006-09-21 US disclosed
EP-0684509-B1 Contrast-promoting agents in graphic arts media IMATION CORP (US) 1999-10-20 EP disclosed
EP-0684509-A1 Contrast-promoting agents in graphic arts media MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1995-11-29 EP disclosed
US-5415975-A Contrast-promoting agents in graphic arts media MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1995-05-16 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 (6 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-20140038936-A1 ISOINDOLINONE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE PIK3CD, PIK3CA, PIK3R5 DAO 4627/4885METAP2 4358/4885PARP1 675/4885
US-20120040950-A1 ISOINDOLINONE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE PIK3CD, PIK3CA, PIK3R5 DAO 4627/4885METAP2 4358/4885PARP1 675/4885
US-20060211755-A1 3-oxo-1, 3-dihydro-indazole-2-carboxylic acid amide derivatives as phospholipase inhibitors C5AR2, C3AR1, C5AR1 DAO 554/4885METAP2 723/4885PARP1 2155/4885
US-20120202784-A1 ISOINDOLINONE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE PIK3CD, PIK3CA, PIK3R5 DAO 4627/4885METAP2 4358/4885PARP1 675/4885
US-20170260175-A1 ISOINDOLINONE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE PIK3CD, PIK3CA, PIK3R5 DAO 4627/4885METAP2 4358/4885PARP1 675/4885
US-10183933-B2 Isoindolinone inhibitors of phosphatidylinositol 3-kinase PIK3CD, PIK3CA, PIK3R5 DAO 4627/4885METAP2 4358/4885PARP1 675/4885

“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.