SCHEMBL4559394

SCHEMBL4559394

CCOc1ccccc1NC(=O)C(=O)N1CCNCC1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.57
ALDH1A1 P00352 2/20 0.57
L3MBTL1 Q9Y468 2/20 0.57
GAA P10253 1/20 0.53
TDP1 Q9NUW8 1/20 0.52
POLB P06746 1/20 0.51
KDM4E B2RXH2 2/20 0.50
CYP1A2 P05177 1/20 0.50
EGFR P00533 1/20 0.49
CYP2C19 P33261 1/20 0.49
MEN1 O00255 2/20 0.48
LMNA P02545 1/20 0.48

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
SCHEMBL30576791 0.87 ALDH1A1 (0.65) KMT2AALDH1A1L3MBTL1GAATDP1
SCHEMBL2398664 0.87 ALDH1A1 (0.65) KMT2AALDH1A1L3MBTL1GAATDP1
SCHEMBL4559529 0.86 KMT2A (0.78) KMT2AALDH1A1L3MBTL1TDP1POLB
SCHEMBL4558906 0.82 CCNC (0.52) KMT2AALDH1A1L3MBTL1POLBMEN1
SCHEMBL29832051 0.80 TDP1 (0.76) KMT2AALDH1A1GAATDP1KDM4E
SCHEMBL8110954 0.79 GAA (0.75) KMT2AALDH1A1L3MBTL1GAAPOLB
SCHEMBL4558440 0.79 NPC1 (0.57) KMT2AALDH1A1L3MBTL1POLBMEN1
SCHEMBL4559520 0.78 L3MBTL1 (0.61) KMT2AALDH1A1L3MBTL1TDP1KDM4E
SCHEMBL4559727 0.77 SMN1; SMN2 (0.52) KMT2AALDH1A1L3MBTL1GAATDP1
SCHEMBL4559701 0.76 ABCC1 (0.54) KMT2AALDH1A1L3MBTL1POLBKDM4E

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.