Maleic Acid

Maleic Acid

SCHEMBL427303

CN(C(=O)O)c1c(N)nc(-c2nn(Cc3ccccc3F)c3ncc(F)cc23)nc1N.O=C(O)/C=C\C(=O)O

nearest known ligand 0.60

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 5)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.60
KCNH2 Q12809 1/20 0.60
GUCY1A1 Q02108 3/20 0.54
GUCY1B1 Q02153 3/20 0.54
PDE5A O76074 16/20 0.51

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 SCHEMBL427304 1.00 ADORA3 (0.60) ADORA3KCNH2GUCY1A1GUCY1B1PDE5A
SCHEMBL173886 0.96 ADORA3 (0.64) ADORA3KCNH2GUCY1A1GUCY1B1PDE5A
Hydrochloric Acid SCHEMBL427311 0.95 ADORA3 (0.63) ADORA3KCNH2GUCY1A1GUCY1B1PDE5A
Sulfuric Acid SCHEMBL428371 0.93 ADORA3 (0.61) ADORA3KCNH2GUCY1A1GUCY1B1PDE5A
Phosphoric Acid SCHEMBL430663 0.93 ADORA3 (0.61) ADORA3KCNH2GUCY1A1GUCY1B1PDE5A
SCHEMBL431126 0.92 ADORA3 (0.62) ADORA3KCNH2GUCY1A1GUCY1B1PDE5A
Nitric Acid SCHEMBL429167 0.91 ADORA3 (0.59) ADORA3KCNH2GUCY1A1GUCY1B1PDE5A
Nitric Acid SCHEMBL429168 0.91 ADORA3 (0.59) ADORA3KCNH2GUCY1A1GUCY1B1PDE5A
SCHEMBL430662 0.91 ADORA3 (0.58) ADORA3KCNH2GUCY1A1GUCY1B1PDE5A
SCHEMBL10083045 0.87 KCNH2 (0.79) ADORA3KCNH2GUCY1A1GUCY1B1PDE5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9266885-B2 Substituted 5-fluoro-1H-pyrazolopyridines and their use ADVERIO PHARMA GMBH (DE) 2016-02-23 US claimed
EP-2576547-B1 SUBSTITUTED 5-FLUORO-1H-PYRAZOLOPYRIDINES AND USE THEREOF ADVERIO PHARMA GMBH (DE) 2016-01-27 EP claimed
US-20150080414-A1 SUBSTITUTED 5-FLUORO-1H-PYRAZOLOPYRIDINES AND THEIR USE BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-03-19 US claimed
US-8921377-B2 Substituted 5-fluoro-1H-pyrazolopyridines and their use BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-12-30 US claimed
US-20120022084-A1 Substituted 5-fluoro-1H-pyrazolopyridines and their use BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2012-01-26 US claimed
US-9266885-B2 Substituted 5-fluoro-1H-pyrazolopyridines and their use ADVERIO PHARMA GMBH (DE) 2016-02-23 US disclosed
EP-2576547-B1 SUBSTITUTED 5-FLUORO-1H-PYRAZOLOPYRIDINES AND USE THEREOF ADVERIO PHARMA GMBH (DE) 2016-01-27 EP disclosed
US-20150080414-A1 SUBSTITUTED 5-FLUORO-1H-PYRAZOLOPYRIDINES AND THEIR USE BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-03-19 US disclosed
US-20120022084-A1 Substituted 5-fluoro-1H-pyrazolopyridines and their use BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2012-01-26 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-20150080414-A1 SUBSTITUTED 5-FLUORO-1H-PYRAZOLOPYRIDINES AND THEIR USE PFKP, PON1, FABP3 ADORA3 1633/4885KCNH2 128/4885GUCY1A1 1337/4885
US-20120022084-A1 Substituted 5-fluoro-1H-pyrazolopyridines and their use PFKP, PON1, FABP3 ADORA3 1633/4885KCNH2 128/4885GUCY1A1 1337/4885

“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.