SCHEMBL4558906

SCHEMBL4558906

CCc1ccccc1NC(=O)C(=O)N1CCNCC1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCNC P24863 1/20 0.52
CDK8 P49336 1/20 0.52
KMT2A Q03164 7/20 0.50
TAAR1 Q96RJ0 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
ALDH1A1 P00352 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
MAPT P10636 2/20 0.46
POLB P06746 2/20 0.45
MEN1 O00255 2/20 0.45
LMNA P02545 1/20 0.45
HTT P42858 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
ABCC1 P33527 1/20 0.45
THRB P10828 1/20 0.43
ATM Q13315 1/20 0.43

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
SCHEMBL30576787 0.86 TAAR1 (0.61) CCNCCDK8KMT2ATAAR1ALDH1A1
SCHEMBL4558440 0.83 NPC1 (0.57) CCNCCDK8KMT2AL3MBTL1ALDH1A1
SCHEMBL4559394 0.82 KMT2A (0.57) KMT2AL3MBTL1ALDH1A1POLBMEN1
SCHEMBL4559727 0.81 SMN1; SMN2 (0.52) CCNCCDK8KMT2AL3MBTL1ALDH1A1
SCHEMBL4559701 0.81 ABCC1 (0.54) KMT2AL3MBTL1ALDH1A1SMN1; SMN2MAPT
SCHEMBL4559135 0.80 SMN1; SMN2 (0.51) KMT2AL3MBTL1ALDH1A1SMN1; SMN2MAPT
SCHEMBL4559529 0.80 KMT2A (0.78) KMT2AL3MBTL1ALDH1A1SMN1; SMN2POLB
SCHEMBL4559855 0.78 POLB (0.53) KMT2AL3MBTL1ALDH1A1SMN1; SMN2MAPT
SCHEMBL4559491 0.77 TAS1R3 (0.50) KMT2AL3MBTL1ALDH1A1SMN1; SMN2MAPT
SCHEMBL2349955 0.77 MAPT (0.61) KMT2AL3MBTL1ALDH1A1SMN1; SMN2MAPT

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 CCNC 1478/4885CDK8 1077/4885KMT2A 2079/4885

“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.