SCHEMBL993760

SCHEMBL993760

COc1ccc(-c2ccc3ncc4c(c3c2)n(-c2ccc(-n3cncn3)c(C(F)(F)F)c2)c(=O)n4C)cn1.Cc1ccc(S(=O)(=O)O)cc1

nearest known ligand 0.63

Known targets — ChEMBL curated mechanism

ABL1BMXBRAFBTKCHRNA4CHRNB2CSNK1EEGFRERBB2F10FLT1FLT3FLT4IGF1RINSRITKJAK3KDRKITOPRM1PARP1PARP2PDGFRBPIK3CDRAF1RETSLC18A2TECTXKdacAdacBdacCftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD known ✓ O00329 4/20 0.63
MTOR P42345 14/20 0.63
PIK3CA P42336 7/20 0.63
PIK3CB P42338 3/20 0.63
PIK3CG P48736 3/20 0.63
CSNK2A2 P19784 1/20 0.63
FECH P22830 1/20 0.63
CLK1 P49759 1/20 0.63
GSK3A P49840 1/20 0.63
DYRK1A Q13627 1/20 0.63
MELK Q14680 1/20 0.63
MYLK3 Q32MK0 1/20 0.63
PIK3C3 Q8NEB9 1/20 0.63
PIP4K2C Q8TBX8 1/20 0.63
TP53RK Q96S44 1/20 0.63
RPTOR Q8N122 1/20 0.59
MLST8 Q9BVC4 1/20 0.59
RIOK2 Q9BVS4 4/20 0.47
ATM Q13315 3/20 0.45
ATR Q13535 3/20 0.45

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
SCHEMBL927019 0.92 MTOR (0.73) MTORPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL993773 0.89 MTOR (0.64) MTORPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL928107 0.84 MTOR (0.61) MTORPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL927055 0.83 MTOR (0.58) MTORPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL930045 0.83 MTOR (0.59) MTORPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL930593 0.82 MTOR (0.57) MTORPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL927780 0.82 MTOR (0.58) MTORPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL928787 0.81 MTOR (0.73) MTORPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL927171 0.81 MTOR (0.56) MTORPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL928172 0.81 MTOR (0.56) MTORPIK3CAPIK3CDPIK3CBPIK3CG

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 13 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

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 PIK3CD 9/4885MTOR 89/4885PIK3CA 8/4885
US-20120207751-A1 Imidazoquinolines as lipid kinase inhibitors PI4KA, PDPK1, PI4KB PIK3CD 58/4885MTOR 171/4885PIK3CA 29/4885
US-20110251202-A1 1,3-Dihydro-imidazo[4,5-c]quinolin-2-ones as Lipid Kinase Inhibitors PDPK1, PI4KA, PIP4K2A PIK3CD 9/4885MTOR 89/4885PIK3CA 8/4885
US-20080194579-A1 1,3-Dihydro-Imidazo [4,5-C] Quinolin-2-Ones as Lipid Kinase Inhibitors PDPK1, PI4KA, PIP4K2A PIK3CD 9/4885MTOR 89/4885PIK3CA 8/4885

“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.