SCHEMBL993137

SCHEMBL993137

Cn1c(=O)n(-c2ccc(C(C)(C)C#N)cc2)c2c3cc(Br)ccc3[n+]([O-])cc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 12/20 0.52
MTOR P42345 9/20 0.52
PIK3CD O00329 4/20 0.52
PIK3CG P48736 4/20 0.52
PIK3CB P42338 3/20 0.47
PRKDC P78527 3/20 0.46
PIK3C2A O00443 1/20 0.46
PIK3C2B O00750 1/20 0.46
CHEK1 O14757 1/20 0.46
ABCB11 O95342 1/20 0.46
CSF1R P07333 1/20 0.46
MET P08581 1/20 0.46
PIK3R1 P27986 1/20 0.46
LTK P29376 1/20 0.46
CDK7 P50613 1/20 0.46
NEK2 P51955 1/20 0.46
JAK3 P52333 1/20 0.46
LIMK1 P53667 1/20 0.46
ACVR1 Q04771 1/20 0.46
MAP4K2 Q12851 1/20 0.46

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
SCHEMBL993965 0.81 PIK3CA (0.55) PIK3CAMTORPIK3CDPIK3CGPIK3CB
SCHEMBL993134 0.79 PIK3CA (0.74) PIK3CAMTORPIK3CDPIK3CGPIK3CB
SCHEMBL927495 0.79 MTOR (0.78) PIK3CAMTORPIK3CDPIK3CGPIK3CB
SCHEMBL994009 0.75 PIK3CA (0.48) PIK3CAMTORPIK3CDPIK3CGPIK3CB
SCHEMBL27846639 0.74 PIK3CA (0.51) PIK3CAMTORPIK3CDPIK3CGPIK3CB
SCHEMBL995934 0.73 MTOR (0.68) PIK3CAMTORPIK3CDPIK3CGPIK3CB
SCHEMBL1071797 0.71 PIK3CA (0.57) PIK3CAMTORPIK3CDPIK3CGPIK3CB
SCHEMBL31439321 0.70 PIK3CA (0.58) PIK3CAMTORPIK3CDPIK3CGPIK3CB
SCHEMBL369464 0.70 PIK3CA (0.58) PIK3CAMTORPIK3CDPIK3CGPIK3CB
SCHEMBL1074199 0.69 PIK3CA (0.52) PIK3CAMTORPIK3CDPIK3CGPIK3CB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8431592-B2 1,3-dihydro-imidazo[4,5-c]quinolin-2-ones as lipid kinase inhibitors NOVARTIS AG (CH) 2013-04-30 US disclosed
EP-2270008-B1 8-heteroaryl-3-alkyl-1,3-dihydro-imidazo[4,5-c]quinolin-2-ones as PI-3 kinases inhibitors NOVARTIS AG (CH) 2012-10-03 EP disclosed
US-20120207751-A1 Imidazoquinolines as lipid kinase inhibitors NOVARTIS AG (CH) 2012-08-16 US disclosed
EP-2292617-B1 1,3-dihydro-imidazo[4,5-c]quinolin-2-ones as lipid kinase and/or pi3 kinase inhibitors NOVARTIS AG (CH) 2012-07-11 EP disclosed
EP-1888578-B9 2-METHYL-2-[4-(3-METHYL-2-OXO-8-QUINOLIN-3-YL-2,3-DIHYDRO-IMIDAZO [4,5-C] QUINOLINYL)-PHENYL]PROPIONITRILE AS LIPID KINASE INHIBITOR NOVARTIS AG (CH) 2012-04-25 EP disclosed
EP-1888578-B1 2-METHYL-2-[4-(3-METHYL-2-OXO-8-QUINOLIN-3-YL-2,3-DIHYDRO-IMIDAZO [4,5-C] QUINOLINYL)-PHENYL]PROPIONITRILE AS LIPID KINASE INHIBITOR NOVARTIS AG (CH) 2011-11-30 EP disclosed
US-20110251202-A1 1,3-Dihydro-imidazo[4,5-c]quinolin-2-ones as Lipid Kinase Inhibitors NOVARTIS AG (CH) 2011-10-13 US disclosed
US-7994170-B2 1,3-dihydro-imidazo[4,5-C]quinolin-2-ones as lipid kinase inhibitors NOVARTIS AG (CH) 2011-08-09 US disclosed
EP-2292617-A1 1,3-dihydro-imidazo[4,5-c]quinolin-2-ones as lipid kinase and/or pi3 kinase inhibitors Novartis AG (CH) 2011-03-09 EP disclosed
EP-2270008-A1 1,3-dihydro-imidazo[4,5-c]quinolin-2-ones as lipid kinase and/or pi3 kinases inhibitors Novartis AG (CH) 2011-01-05 EP disclosed
US-20100056558-A1 1,3-DIHYDRO-IMIDAZO[4,5-C]QUINOLIN-2-ONES AS LIPID KINASE INHIBITORS NOVARTIS AG (CH) 2010-03-04 US disclosed
US-7667039-B2 1,3-dihydro-imidazo [4,5-C] quinolin-2-ones as lipid kinase inhibitors NOVARTIS AG (CH) 2010-02-23 US disclosed
US-20080194579-A1 1,3-Dihydro-Imidazo [4,5-C] Quinolin-2-Ones as Lipid Kinase Inhibitors NOVARTIS AG (CH) 2008-08-14 US disclosed
EP-1888578-A2 IMIDAZOQUINOLINES AS LIPID KINASE INHIBITORS Novartis AG (CH) 2008-02-20 EP disclosed
WO-2006122806-A2 1,3-DIHYDRO-IMIDAZO [4,5-C] QUINOLIN-2-ONES AS LIPID KINASE INHIBITORS NOVARTIS AG (CH) 2006-11-23 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 (4 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-20100056558-A1 1,3-DIHYDRO-IMIDAZO[4,5-C]QUINOLIN-2-ONES AS LIPID KINASE INHIBITORS PDPK1, PI4KA, PIP4K2A PIK3CA 8/4885MTOR 89/4885PIK3CD 9/4885
US-20120207751-A1 Imidazoquinolines as lipid kinase inhibitors PI4KA, PDPK1, PI4KB PIK3CA 29/4885MTOR 171/4885PIK3CD 58/4885
US-20110251202-A1 1,3-Dihydro-imidazo[4,5-c]quinolin-2-ones as Lipid Kinase Inhibitors PDPK1, PI4KA, PIP4K2A PIK3CA 8/4885MTOR 89/4885PIK3CD 9/4885
US-20080194579-A1 1,3-Dihydro-Imidazo [4,5-C] Quinolin-2-Ones as Lipid Kinase Inhibitors PDPK1, PI4KA, PIP4K2A PIK3CA 8/4885MTOR 89/4885PIK3CD 9/4885

“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.