Fumaric Acid

Fumaric Acid

SCHEMBL5801748

CN1CCN(C2CCC(n3nc(-c4ccc(Oc5ccccc5)nc4)c4c(N)ncnc43)CC2)CC1.O=C(O)C=CC(=O)O

nearest known ligand 0.72

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 15)

geneUniProtsupporting neighboursconfidence
BTK known ✓ Q06187 15/20 0.72
FLT3 known ✓ P36888 1/20 0.60
JAK3 known ✓ P52333 1/20 0.60
EGFR known ✓ P00533 1/20 0.56
LCK P06239 5/20 0.72
SRC P12931 5/20 0.72
TEK Q02763 5/20 0.72
KDR P35968 3/20 0.72
NUDT14 O95848 1/20 0.62
NUDT5 Q9UKK9 1/20 0.62
FGR P09769 1/20 0.60
CSK P41240 1/20 0.60
BLK P51451 1/20 0.60
ITK Q08881 1/20 0.60
ERBB3 P21860 1/20 0.56

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
Fumaric Acid SCHEMBL5801750 1.00 BTK (0.72) BTKLCKSRCTEKKDR
Maleic Acid SCHEMBL5801744 1.00 BTK (0.72) BTKLCKSRCTEKKDR
Maleic Acid SCHEMBL5801746 1.00 BTK (0.72) BTKLCKSRCTEKKDR
SCHEMBL6430150 0.94 BTK (0.82) BTKLCKSRCTEKKDR
SCHEMBL5804554 0.94 BTK (0.82) BTKLCKSRCTEKKDR
SCHEMBL5804551 0.94 BTK (0.82) BTKLCKSRCTEKKDR
SCHEMBL25468776 0.87 BTK (0.81) BTKLCKSRCTEKKDR
Fumaric Acid SCHEMBL6431673 0.86 LCK (0.75) BTKLCKSRCTEKKDR
Maleic Acid SCHEMBL6431672 0.86 LCK (0.75) BTKLCKSRCTEKKDR
SCHEMBL6433141 0.84 BTK (1.00) BTKLCKSRCTEKKDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1385524-A4 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS ABBOTT GMBH & CO KG (DE) 2006-02-01 EP disclosed
US-6921763-B2 Pyrazolopyrimidines as therapeutic agents ABBOTT LABORATORIES (US) 2005-07-26 US disclosed
EP-1212327-B8 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS ABBOTT GMBH & CO KG (DE) 2004-02-25 EP disclosed
EP-1385524-A1 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS Abbott GmbH & Co. KG (DE) 2004-02-04 EP disclosed
US-6660744-B1 Kinase inhibitors ABBOTT GMBH & CO. KG (DE) 2003-12-09 US disclosed
EP-1212327-B1 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS BASF AG (DE) 2003-08-20 EP disclosed
US-20020156081-A1 Pyrazolopyrimidines as therapeutic agents ABBOTT LABORATORIES (US) 2002-10-24 US disclosed
WO-2002080926-A1 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS ABBOTT GMBH & CO. KG (DE) 2002-10-17 WO disclosed
EP-1212327-A2 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS BASF AKTIENGESELLSCHAFT (DE) 2002-06-12 EP disclosed
WO-2001019829-A2 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS BASF AKTIENGESELLSCHAFT (DE) 2001-03-22 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 (1 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-20020156081-A1 Pyrazolopyrimidines as therapeutic agents DPYD, CYP2D6, UGT1A1 BTK 1020/4885FLT3 67/4885JAK3 1066/4885

“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.