SCHEMBL7017550

SCHEMBL7017550

O=c1ccnc2cccnn12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.50
MKNK1 Q9BUB5 1/20 0.44
DYRK1A Q13627 2/20 0.41
KLK7 P49862 1/20 0.38
GRM5 P41594 1/20 0.36
PRMT5 O14744 1/20 0.34
WDR77 Q9BQA1 1/20 0.34
PDE4A P27815 2/20 0.33
KDR P35968 2/20 0.33
SSTR4 P31391 1/20 0.32
HSD11B1 P28845 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
GSK3A P49840 1/20 0.32
GSK3B P49841 1/20 0.32
EGLN2 Q96KS0 1/20 0.32
PDE4B Q07343 2/20 0.31
PDE4C Q08493 1/20 0.31

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
Trifluoroacetic Acid SCHEMBL15176448 0.85 PDE4B (0.39) ADORA3MKNK1DYRK1AGRM5PDE4A
SCHEMBL1243754 0.73 MKNK1 (0.43) MKNK1DYRK1AKLK7PDE4AEGLN2
SCHEMBL11456589 0.72 MKNK1 (0.42) ADORA3MKNK1DYRK1AKLK7PRMT5
SCHEMBL31314234 0.69 MKNK1 (0.47) MKNK1DYRK1AKLK7PRMT5WDR77
SCHEMBL31449503 0.69 KDM4E (0.45) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL17383462 0.68 TNF (0.47) ADORA3MKNK1DYRK1APRMT5WDR77
SCHEMBL14639038 0.67 MKNK1 (0.49) MKNK1DYRK1AKLK7PRMT5WDR77
SCHEMBL22045741 0.67 MKNK1 (0.49) MKNK1DYRK1AKLK7PRMT5WDR77
SCHEMBL2862103 0.67 MKNK1 (0.49) MKNK1DYRK1AKLK7PDE4ASSTR4
SCHEMBL84692 0.67 MKNK1 (0.53) MKNK1DYRK1AKLK7PRMT5WDR77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024112763-A9 SELECTION OF PATIENTS FOR THE TREATMENT OF FADS1-MEDIATED DISEASES OR DISORDERS USING FADS-1 INHIBITORS AMGEN INC. (US) 2024-07-11 WO claimed
EP-0733633-A1 Heterocyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-09-25 EP claimed
EP-4727934-A1 TREM2 AGONISTS F. Hoffmann-La Roche AG (CH) 2026-04-22 EP disclosed
US-12331055-B2 Substituted pyrimido[1,2-b]pyridazines as positive allosteric modulators of the muscarinic acetylcholine receptor M4 VANDERBILT UNIVERSITY (US) 2025-06-17 US disclosed
US-20250101041-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 VANDERBILT UNIVERSITY 2025-03-27 US disclosed
US-20250101041-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 VANDERBILT UNIVERSITY 2025-03-27 US disclosed
WO-2024260929-A1 TREM2 AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2024-12-26 WO disclosed
US-12139498-B1 Positive allosteric modulators of the muscarinic acetylcholine receptor M4 VANDERBILT UNIVERSITY (US) 2024-11-12 US disclosed
US-20240368188-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 VANDERBILT UNIVERSITY 2024-11-07 US disclosed
US-20240067646-A1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY HOFFMANN-LA ROCHE INC. 2024-02-29 US disclosed
US-20240067646-A1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY HOFFMANN-LA ROCHE INC. 2024-02-29 US disclosed
US-7884104-B2 Such as (3R,4R)-1-Pyrimidin-4-yl-4-(2,4,5-trifluorophenyl)piperidin-3-amine bis-trifluoroacetic acid salt MERCK SHARP & DOHME CORP. (US) 2011-02-08 US disclosed
US-7884104-B2 Such as (3R,4R)-1-Pyrimidin-4-yl-4-(2,4,5-trifluorophenyl)piperidin-3-amine bis-trifluoroacetic acid salt MERCK SHARP & DOHME CORP. (US) 2011-02-08 US disclosed
EP-1796669-B1 AMINOPIPERIDINES AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES MERCK SHARP & DOHME (US) 2010-09-22 EP disclosed
US-20080076773-A1 Aminopiperidines as Dipeptidyl Peptidase-IV Inhibitors for the Treatment or Prevention of Diabetes MERCK SHARP & DOHME LLC 2008-03-27 US disclosed
US-20080076773-A1 Aminopiperidines as Dipeptidyl Peptidase-IV Inhibitors for the Treatment or Prevention of Diabetes MERCK SHARP & DOHME LLC 2008-03-27 US disclosed
WO-2006039325-A2 AMINOPIPERIDINES AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES MERCK & CO., INC. (US) 2006-04-13 WO disclosed
EP-0733633-B1 Heterocyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-05-28 EP disclosed
US-5753664-A ANTITUMOR AGENTS, PYRIMIDONES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-05-19 US disclosed
EP-0733633-A1 Heterocyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-09-25 EP 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 (6 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-20240067646-A1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY SMN1; SMN2, CPT1B, GYS1 ADORA3 2909/4885MKNK1 2343/4885DYRK1A 4819/4885
US-12331055-B2 Substituted pyrimido[1,2-b]pyridazines as positive allosteric modulators of the muscarinic acetylcholine receptor M4 CHRM2, CHRM5, CHRM1 ADORA3 117/4885MKNK1 2577/4885DYRK1A 560/4885
US-20080076773-A1 Aminopiperidines as Dipeptidyl Peptidase-IV Inhibitors for the Treatment or Prevention of Diabetes DPP4, DPP3, DPP7 ADORA3 156/4885MKNK1 2684/4885DYRK1A 2677/4885
US-20240368188-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 CHRM4, CHRM5, CHRM1 ADORA3 110/4885MKNK1 1205/4885DYRK1A 511/4885
US-12139498-B1 Positive allosteric modulators of the muscarinic acetylcholine receptor M4 CHRM4, CHRM5, CHRM1 ADORA3 122/4885MKNK1 1345/4885DYRK1A 558/4885
US-20250101041-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 CHRM4, CHRM1, CHRM2 ADORA3 115/4885MKNK1 1703/4885DYRK1A 687/4885

“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.