Maleic Acid

Maleic Acid

SCHEMBL6433883

CN1CCN([C@H]2CC[C@@H](n3nc(-c4ccc(NCc5ccc(Br)cc5)c(F)c4)c4c(N)ncnc43)CC2)CC1.O=C(O)/C=C\C(=O)O.O=C(O)/C=C\C(=O)O.O=C(O)/C=C\C(=O)O

nearest known ligand 0.66

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2BTKCACNA1CCACNA1DCACNA1FCACNA1SCCR5CPT1BCPT2DPP4DRD1DRD2EGFRERBB2ERBB4HRH1HRH3HTR1AHTR2AHTR2BHTR2CHTR4JAK1JAK2JAK3MPLMTORPPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PPARGSLC6A2SLC6A3SLC6A4SMOTYK2pol

The experimentally established mechanism targets of Maleic 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
EGFR known ✓ P00533 3/20 0.55
ERBB2 known ✓ P04626 3/20 0.55
ERBB4 known ✓ Q15303 3/20 0.55
BTK known ✓ Q06187 1/20 0.51
LCK P06239 16/20 0.66
SRC P12931 16/20 0.66
TEK Q02763 16/20 0.66
KDR P35968 6/20 0.57
LIMK1 P53667 1/20 0.57
LIMK2 P53671 1/20 0.57
IGF1R P08069 3/20 0.55
ERBB3 P21860 3/20 0.55
NUDT14 O95848 1/20 0.54
NUDT5 Q9UKK9 1/20 0.54
FYN P06241 1/20 0.52

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 SCHEMBL6433884 1.00 LCK (0.66) LCKSRCTEKKDRLIMK1
SCHEMBL6430369 0.94 LCK (0.71) LCKSRCTEKKDRLIMK1
SCHEMBL6430367 0.94 LCK (0.71) LCKSRCTEKKDRLIMK1
Triaziquone SCHEMBL6433881 0.91 LCK (0.56) LCKSRCTEKKDRLIMK1
SCHEMBL6430556 0.89 LCK (0.82) LCKSRCTEKKDRLIMK1
SCHEMBL6430552 0.89 LCK (0.82) LCKSRCTEKKDRLIMK1
SCHEMBL6430786 0.83 EGFR (0.66) LCKSRCTEKKDRLIMK1
SCHEMBL6430790 0.83 EGFR (0.66) LCKSRCTEKKDRLIMK1
SCHEMBL6670094 0.83 LCK (0.55) LCKSRCTEKKDRLIMK1
Acetic Acid SCHEMBL6431632 0.81 SRC (0.93) LCKSRCTEKKDRLIMK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6921763-B2 Pyrazolopyrimidines as therapeutic agents ABBOTT LABORATORIES (US) 2005-07-26 US disclosed
US-20050008640-A1 Method of treating transplant rejection ABBOTT LABORATORIES 2005-01-13 US 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20050008640-A1 Method of treating transplant rejection LCK, ZAP70, FYN EGFR 818/4885ERBB2 894/4885ERBB4 835/4885
US-20020156081-A1 Pyrazolopyrimidines as therapeutic agents DPYD, CYP2D6, UGT1A1 EGFR 2229/4885ERBB2 529/4885ERBB4 1025/4885

“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.