SCHEMBL4559529

SCHEMBL4559529

COc1ccccc1NC(=O)C(=O)N1CCNCC1

nearest known ligand 0.78

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.78
ALDH1A1 P00352 3/20 0.78
L3MBTL1 Q9Y468 3/20 0.78
PKM P14618 1/20 0.57
MAPK1 P28482 1/20 0.57
SMN1; SMN2 Q16637 4/20 0.56
TDP1 Q9NUW8 2/20 0.54
KDM4E B2RXH2 2/20 0.54
POLB P06746 2/20 0.50
NPSR1 Q6W5P4 1/20 0.50
HPGD P15428 1/20 0.49
CASP6 P55212 1/20 0.49
MEN1 O00255 1/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
ACHE P22303 1/20 0.47
BACE1 P56817 1/20 0.47

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
SCHEMBL4559520 0.88 L3MBTL1 (0.61) KMT2AALDH1A1L3MBTL1PKMMAPK1
SCHEMBL651830 0.86 PKM (0.76) KMT2AALDH1A1L3MBTL1PKMMAPK1
SCHEMBL4559394 0.86 KMT2A (0.57) KMT2AALDH1A1L3MBTL1TDP1KDM4E
SCHEMBL4558440 0.82 NPC1 (0.57) KMT2AALDH1A1L3MBTL1SMN1; SMN2POLB
SCHEMBL4559727 0.80 SMN1; SMN2 (0.52) KMT2AALDH1A1L3MBTL1SMN1; SMN2TDP1
SCHEMBL4559701 0.80 ABCC1 (0.54) KMT2AALDH1A1L3MBTL1SMN1; SMN2KDM4E
SCHEMBL4558906 0.80 CCNC (0.52) KMT2AALDH1A1L3MBTL1SMN1; SMN2POLB
SCHEMBL4559135 0.79 SMN1; SMN2 (0.51) KMT2AALDH1A1L3MBTL1SMN1; SMN2KDM4E
SCHEMBL1646834 0.77 ALDH1A1 (0.76) KMT2AALDH1A1L3MBTL1SMN1; SMN2POLB
SCHEMBL6850954 0.77 ALDH1A1 (0.71) KMT2AALDH1A1L3MBTL1PKMMAPK1

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 KMT2A 2079/4885ALDH1A1 2146/4885L3MBTL1 2378/4885

“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.