SCHEMBL4559491

SCHEMBL4559491

N#Cc1ccccc1NC(=O)C(=O)N1CCNCC1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.50
TAS1R1 Q7RTX1 1/20 0.50
TAS1R2 Q8TE23 1/20 0.50
IRAK4 Q9NWZ3 5/20 0.49
GAA P10253 3/20 0.48
L3MBTL1 Q9Y468 3/20 0.48
ALDH1A1 P00352 3/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
KDM4E B2RXH2 1/20 0.47
CASP3 P42574 1/20 0.45
ABCC1 P33527 1/20 0.44
POLB P06746 2/20 0.44
MAPT P10636 1/20 0.44

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
SCHEMBL4559727 0.80 SMN1; SMN2 (0.52) GAAL3MBTL1ALDH1A1SMN1; SMN2KMT2A
SCHEMBL4558440 0.79 NPC1 (0.57) L3MBTL1ALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL4559135 0.79 SMN1; SMN2 (0.51) GAAL3MBTL1ALDH1A1SMN1; SMN2KMT2A
SCHEMBL7288865 0.77 KMT2A (0.73) IRAK4GAAALDH1A1SMN1; SMN2KMT2A
SCHEMBL6858019 0.77 GAA (0.66) TAS1R3TAS1R1TAS1R2GAAL3MBTL1
SCHEMBL4558906 0.77 CCNC (0.52) L3MBTL1ALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL4559701 0.77 ABCC1 (0.54) L3MBTL1ALDH1A1SMN1; SMN2KMT2AKDM4E
SCHEMBL4559529 0.76 KMT2A (0.78) L3MBTL1ALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL4578275 0.74 GRIN1 (0.54) KMT2AMEN1CASP3POLB
SCHEMBL4559855 0.74 POLB (0.53) L3MBTL1ALDH1A1SMN1; SMN2KMT2APOLB

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 6 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

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 TAS1R3 1322/4885TAS1R1 1536/4885TAS1R2 919/4885

“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.