Maleic Acid

Maleic Acid

SCHEMBL4835112

COc1ccc(Nc2nc(NC3CCCCCC3)nc(N(C)C3CCN(C)CC3)n2)cc1F.O=C(O)/C=C\C(=O)O

nearest known ligand 0.44

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 17)

geneUniProtsupporting neighboursconfidence
EGFR known ✓ P00533 1/20 0.38
EHMT2 Q96KQ7 6/20 0.44
EHMT1 Q9H9B1 6/20 0.44
BCL6 P41182 2/20 0.43
AURKA O14965 1/20 0.41
AURKB Q96GD4 1/20 0.41
IDH2 P48735 1/20 0.41
GALR1 P47211 4/20 0.40
GALR2 O43603 3/20 0.39
PTK2 Q05397 1/20 0.39
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
AXL P30530 1/20 0.38

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 SCHEMBL4836755 1.00 EHMT2 (0.44) EHMT2EHMT1BCL6AURKAAURKB
Malonic Acid SCHEMBL4829481 0.93 EHMT2 (0.45) EHMT2EHMT1BCL6AURKAAURKB
SCHEMBL4829436 0.93 EHMT2 (0.50) EHMT2EHMT1BCL6IDH2GALR1
Succinic Acid SCHEMBL4835600 0.92 EHMT2 (0.44) EHMT2EHMT1BCL6AURKAAURKB
Bromide SCHEMBL6016985 0.92 EHMT2 (0.49) EHMT2EHMT1BCL6AURKAAURKB
Hydrochloric Acid SCHEMBL5550552 0.92 EHMT2 (0.49) EHMT2EHMT1BCL6AURKAAURKB
Hydrochloric Acid SCHEMBL5550550 0.91 EHMT2 (0.49) EHMT2EHMT1BCL6AURKAAURKB
Fumaric Acid SCHEMBL5035246 0.91 BCL6 (0.48) EHMT2EHMT1BCL6IDH2MEN1
Fumaric Acid SCHEMBL4835645 0.91 BCL6 (0.48) EHMT2EHMT1BCL6IDH2MEN1
Hydrochloric Acid SCHEMBL5432850 0.90 EHMT2 (0.48) EHMT2EHMT1BCL6AURKAAURKB

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7173032-B2 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2007-02-06 US claimed
US-20040077648-A1 Methods and compositions of novel triazine compounds DR. REDDY'S LABORATORIES LTD. (IN) 2004-04-22 US claimed
US-7335656-B2 Stent with a disposed traiazine compound such as 6-(3-Chloro-4-methoxy-phenoxy)-N-cycloheptyl-N'-methyl-N'-(1-methyl-piperidin-4-yl)-[1,3,5]triazine-2,4-diamine for inhibiting smooth muscle proliferation; restenosis and atherosclerosis REDDY US THERAPEUTICS, INC. (US) 2008-02-26 US disclosed
US-7332489-B2 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2008-02-19 US disclosed
US-7332490-B2 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2008-02-19 US disclosed
US-7332488-B2 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2008-02-19 US disclosed
US-7268134-B2 Medical devices employing triazine compounds and compositions thereof REDDY US THERAPEUTICS, INC. (US) 2007-09-11 US disclosed
US-7265114-B2 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2007-09-04 US disclosed
US-7238692-B2 Medical devices employing triazine compounds and compositions thereof REDDY US THERAPEUTICS, INC. (US) 2007-07-03 US disclosed
US-20070122444-A1 Medical devices employing triazine compounds and compositions thereof DR. REDDY'S LABORATORIES LTD. (IN) 2007-05-31 US disclosed
US-20070117795-A1 Methods and compositions of novel triazine compounds DR. REDDY'S LABORATORIES LTD. (IN) 2007-05-24 US disclosed
US-20060172984-A1 Methods and compositions of novel triazine compounds DR. REDDY'S LABORATORIES LTD. (IN) 2006-08-03 US disclosed
US-20050137196-A1 Medical devices employing triazine compounds and compositions thereof NATIONAL BANK OF CANADA (CA) 2005-06-23 US disclosed
US-20050124619-A1 Medical devices employing triazine compounds and compositions thereof DR. REDDY'S LABORATORIES LTD. (IN) 2005-06-09 US disclosed
US-20050113341-A1 Medical devices employing triazine compounds and compositions thereof DR. REDDY'S LABORATORIES LTD. (IN) 2005-05-26 US disclosed
US-20040224950-A1 Methods and compositions of novel triazine compounds DR. REDDY'S LABORATORIES LTD. (IN) 2004-11-11 US disclosed
US-20040209882-A1 Methods and compositions of novel triazine compounds DR. REDDY'S LABORATORIES LTD. (IN) 2004-10-21 US disclosed
US-20040209880-A1 Methods and compositions of novel triazine compounds DR. REDDY'S LABORATORIES LTD. (IN) 2004-10-21 US disclosed
US-20040209881-A1 e.g., N-Cycloheptyl-N'(1-ethyl-pyrrolidin-2-ylmethyl)-6-(3-fluoro-4-methoxy-phenoxy)-[1,3,5]triazine-2,4-diamine; treating unwanted cellular proliferation, an inflammation mediated disease, or a hyperproliferative disease, or modulating a glycosidase enzyme DR. REDDY'S LABORATORIES LTD. (IN) 2004-10-21 US disclosed
US-20040077648-A1 Methods and compositions of novel triazine compounds DR. REDDY'S LABORATORIES LTD. (IN) 2004-04-22 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 (11 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-20040209882-A1 Methods and compositions of novel triazine compounds AREG, TGFB1, PTGIS EGFR 157/4885EHMT2 2905/4885EHMT1 2811/4885
US-20050137196-A1 Medical devices employing triazine compounds and compositions thereof PTGIS, AREG, TGFB1 EGFR 94/4885EHMT2 2474/4885EHMT1 2630/4885
US-20070122444-A1 Medical devices employing triazine compounds and compositions thereof AREG, TGFB1, TGFB2 EGFR 83/4885EHMT2 2566/4885EHMT1 2678/4885
US-20040224950-A1 Methods and compositions of novel triazine compounds AREG, TGFB1, PTGIS EGFR 157/4885EHMT2 2905/4885EHMT1 2811/4885
US-20050113341-A1 Medical devices employing triazine compounds and compositions thereof PTGIS, AREG, TGFB1 EGFR 94/4885EHMT2 2474/4885EHMT1 2630/4885
US-20050124619-A1 Medical devices employing triazine compounds and compositions thereof PTGIS, AREG, TGFB1 EGFR 94/4885EHMT2 2474/4885EHMT1 2630/4885
US-20060172984-A1 Methods and compositions of novel triazine compounds AREG, TGFB1, PTGIS EGFR 157/4885EHMT2 2905/4885EHMT1 2811/4885
US-20040209881-A1 e.g., N-Cycloheptyl-N'(1-ethyl-pyrrolidin-2-ylmethyl)-6-(3-fluoro-4-methoxy-phenoxy)-[1,3,5]triazine-2,4-diamine; treating unwanted cellular proliferation, an inflammation mediated disease, or a hyperproliferative disease, or modulating a glycosidase enzyme ENGASE, LIPG, GPI EGFR 322/4885EHMT2 2518/4885EHMT1 2850/4885
US-20040209880-A1 Methods and compositions of novel triazine compounds AREG, TGFB1, PTGIS EGFR 157/4885EHMT2 2905/4885EHMT1 2811/4885
US-20040077648-A1 Methods and compositions of novel triazine compounds AREG, TGFB1, PTGIS EGFR 157/4885EHMT2 2905/4885EHMT1 2811/4885
US-20070117795-A1 Methods and compositions of novel triazine compounds AREG, TGFB1, PTGIS EGFR 157/4885EHMT2 2905/4885EHMT1 2811/4885

“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.