SCHEMBL4483932

SCHEMBL4483932

C=CCN(CC=C)C(=O)C(N)=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
SMN1; SMN2 Q16637 3/20 0.36
DPP4 P27487 2/20 0.36
TSHR P16473 1/20 0.35
FGFR4 P22455 1/20 0.35
GRIN2D O15399 1/20 0.34
GRIN3B O60391 1/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2A Q12879 1/20 0.34
GRIN2B Q13224 1/20 0.34
GRIN2C Q14957 1/20 0.34
GRIN3A Q8TCU5 1/20 0.34
POLB P06746 1/20 0.33
F2 P00734 1/20 0.32
KLK1 P06870 1/20 0.32
PRSS1 P07477 1/20 0.32
MAPT P10636 1/20 0.31
LMNA P02545 2/20 0.30
MEN1 O00255 3/20 0.30
KMT2A Q03164 3/20 0.30

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
SCHEMBL569156 0.84 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2DPP4TSHRPOLB
SCHEMBL729426 0.83 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2DPP4TSHRFGFR4
SCHEMBL569861 0.79 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2DPP4TSHRFGFR4
SCHEMBL3652188 0.79 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2DPP4TSHRFGFR4
SCHEMBL11668092 0.79 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2DPP4POLBMAPT
SCHEMBL4426785 0.78 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2DPP4TSHRFGFR4
Hydrochloric Acid SCHEMBL27529568 0.77 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2DPP4TSHRFGFR4
SCHEMBL9456466 0.77 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2DPP4POLBMAPT
SCHEMBL16240025 0.76 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2DPP4GRIN2DGRIN3B
SCHEMBL7596175 0.75 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2DPP4TSHRFGFR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7501407-B2 Pyrimidine A2B selective antagonist compounds, their synthesis and use OSI PHARMACEUTICALS, INC. (US) 2009-03-10 US disclosed
US-6916804-B2 Pyrimidine A2b selective antagonist compounds, their synthesis and use OSI PHARMACEUTICALS, INC. (US) 2005-07-12 US disclosed
US-20050119271-A1 Pyrimidine A2B selective antagonist compounds, their synthesis and use OSI PHARMACEUTICALS, INC. 2005-06-02 US disclosed
EP-1465631-A4 PYRIMIDINE A2B SELECTIVE ANTAGONIST COMPOUNDS, THEIR SYNTHESIS AND USE OSI PHARM INC (US) 2005-03-30 EP disclosed
EP-1465631-A2 PYRIMIDINE A2B SELECTIVE ANTAGONIST COMPOUNDS, THEIR SYNTHESIS AND USE OSI Pharmaceuticals, Inc. (US) 2004-10-13 EP disclosed
WO-2003053366-A2 PYRIMIDINE A2B SELECTIVE ANTAGONIST COMPOUNDS, THEIR SYNTHESIS AND USE OSI PHARMACEUTICALS, INC. (US) 2003-07-03 WO disclosed
US-5463007-A Aqueous, rapid curing, emulsion of vinyl acetate, vinyl acetate, ethylene, and an acrylamidobutyraldehyde acetal; coatings, binders, adhesives; waterproofing, adhesion, solvent resistance AIR PRODUCTS AND CHEMICALS, INC. (US) 1995-10-31 US disclosed
WO-1990015825-A1 RELATIVELY SOFT PLIABLE WATER-SWELLABLE POLYMER WEYERHAEUSER COMPANY (US) 1990-12-27 WO disclosed
WO-1990015830-A1 HYDROCOLLOID POLYMER WEYERHAEUSER COMPANY (US) 1990-12-27 WO disclosed
US-4663410-A Polymers of self- and hydroxyl reactive formaldehyde-free cyclic hemiamidal and hemiamide ketal crosslinking monomers AIR PRODUCTS AND CHEMICALS, INC. (US) 1987-05-05 US disclosed
EP-0218827-A2 Polymers of self- and diol reactive formaldehyde-free crosslinking monomers AIR PRODUCTS AND CHEMICALS, INC. (US) 1987-04-22 EP disclosed
EP-0211432-A2 Polymers of self- and hydroxyl reactive formaldehyde-free cyclic hemiamidal and hemiamide ketal crosslinking monomers AIR PRODUCTS AND CHEMICALS, INC. (US) 1987-02-25 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 (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-20050119271-A1 Pyrimidine A2B selective antagonist compounds, their synthesis and use ADORA2B, ADORA2A, ADORA3 ALDH1A1 2146/4885SMN1; SMN2 2019/4885DPP4 2678/4885

“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.