Fumaric Acid

Fumaric Acid

SCHEMBL996442

CN1CCN(c2ccc(-n3c(=O)n(C)c4cnc5ccc(-c6cccnc6)cc5c43)cc2)CC1.O=C(O)C=CC(=O)O

nearest known ligand 0.55

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ATP4AATP4BAXLBTKCACNA1CCACNA1DCACNA1FCACNA1SCCR5CHRM2CHRM3CPT1BCPT2DPP4DRD1DRD2EGFRERBB2ERBB4FLT3HRH1HRH3HTR1AHTR2AHTR2BHTR2CHTR4JAK1JAK2JAK3KCNH2KMT2AMAP2K1MAP2K2MEN1MLNRMPLMTORPPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PLK4PPARGRENS1PR1SLC6A2SLC6A3SLC6A4SMOTYK2atpAatpBatpCatpDatpEatpFatpFHatpGpol

The experimentally established mechanism targets of Fumaric Acid. 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
MTOR known ✓ P42345 10/20 0.55
PIK3CA known ✓ P42336 7/20 0.55
PIK3CD known ✓ O00329 7/20 0.55
PIK3CB known ✓ P42338 6/20 0.55
PIK3CG known ✓ P48736 6/20 0.55
KCNH2 known ✓ Q12809 1/20 0.54
MEN1 known ✓ O00255 1/20 0.49
KMT2A known ✓ Q03164 1/20 0.49
JAK3 known ✓ P52333 3/20 0.46
PIK3R1 known ✓ P27986 1/20 0.46
PIK3R5 known ✓ Q8WYR1 1/20 0.46
BTK known ✓ Q06187 2/20 0.45
ATM Q13315 5/20 0.54
ATR Q13535 2/20 0.54
CLK4 Q9HAZ1 2/20 0.49
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49

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
Maleic Acid SCHEMBL996441 1.00 MTOR (0.55) MTORPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL930048 0.93 MTOR (0.62) MTORPIK3CAPIK3CDPIK3CBPIK3CG
Maleic Acid SCHEMBL994501 0.88 MTOR (0.59) MTORPIK3CAPIK3CDPIK3CBPIK3CG
Fumaric Acid SCHEMBL994503 0.88 MTOR (0.59) MTORPIK3CAPIK3CDPIK3CBPIK3CG
Fumaric Acid SCHEMBL994770 0.87 MTOR (0.65) MTORPIK3CAPIK3CDPIK3CBPIK3CG
Maleic Acid SCHEMBL994767 0.87 MTOR (0.65) MTORPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL9901524 0.85 PIK3CA (0.56) MTORPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL927267 0.83 MTOR (0.54) MTORPIK3CAPIK3CDPIK3CBPIK3CG
Maleic Acid SCHEMBL994384 0.83 MTOR (0.55) MTORPIK3CAPIK3CDPIK3CBPIK3CG
Fumaric Acid SCHEMBL994385 0.83 MTOR (0.55) 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 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 MTOR 89/4885PIK3CA 8/4885PIK3CD 9/4885
US-20120207751-A1 Imidazoquinolines as lipid kinase inhibitors PI4KA, PDPK1, PI4KB MTOR 171/4885PIK3CA 29/4885PIK3CD 58/4885
US-20110251202-A1 1,3-Dihydro-imidazo[4,5-c]quinolin-2-ones as Lipid Kinase Inhibitors PDPK1, PI4KA, PIP4K2A MTOR 89/4885PIK3CA 8/4885PIK3CD 9/4885
US-20080194579-A1 1,3-Dihydro-Imidazo [4,5-C] Quinolin-2-Ones as Lipid Kinase Inhibitors PDPK1, PI4KA, PIP4K2A MTOR 89/4885PIK3CA 8/4885PIK3CD 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.