SCHEMBL4472923

SCHEMBL4472923

CCCn1c(C=Cc2ccc(Cl)nc2)c([N+](=O)[O-])c(=O)n(CCC)c1=O

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.47
POLB P06746 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
NCOA1 Q15788 1/20 0.47
NCOA3 Q9Y6Q9 1/20 0.47
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
ALDH1A1 P00352 2/20 0.42
MAPK1 P28482 1/20 0.42
MITF O75030 1/20 0.39
LMNA P02545 1/20 0.39
ADORA1 P30542 1/20 0.38

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
SCHEMBL4472918 1.00 MAPT (0.47) MAPTPOLBSMN1; SMN2NCOA1NCOA3
SCHEMBL6503717 0.77 MAPT (0.57) MAPTPOLBSMN1; SMN2NCOA1NCOA3
SCHEMBL6503720 0.77 MAPT (0.57) MAPTPOLBSMN1; SMN2NCOA1NCOA3
SCHEMBL4770778 0.77 ADORA2B (0.48) MAPTADORA1
SCHEMBL4770769 0.77 ADORA2B (0.48) MAPTADORA1
SCHEMBL4762500 0.76 MAPT (0.40) MAPTPOLBSMN1; SMN2NCOA1NCOA3
SCHEMBL4762507 0.76 MAPT (0.40) MAPTPOLBSMN1; SMN2NCOA1NCOA3
SCHEMBL4771159 0.74 NCOA1 (0.41) MAPTPOLBSMN1; SMN2NCOA1NCOA3
SCHEMBL4763392 0.74 NCOA1 (0.44) MAPTPOLBSMN1; SMN2NCOA1NCOA3
SCHEMBL4763390 0.74 NCOA1 (0.44) MAPTPOLBSMN1; SMN2NCOA1NCOA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8349848-B2 Pyrrolo[3,2-D]pyrimidines that are selective antagonists of A2B adenosine receptors Dogwoof Pharmaceuticals, Inc. (US) 2013-01-08 US disclosed
US-20090082347-A1 PYRROLO[3,2-D]PYRIMIDINES THAT ARE SELECTIVE ANTAGONISTS OF A2B ADENOSINE RECEPTORS ADENOSINE THERAPEUTICS, LLC 2009-03-26 US disclosed
US-7470697-B2 Pyrrolo[3,2-D] pyrimidines that are selective antagonists of A2B adenosine receptors ADENOSINE THERAPEUTICS, LLC (US) 2008-12-30 US disclosed
US-20080125425-A1 Pyrrolo[3,2-D] pyrimidines that are selective antagonists of A2badenosine receptors ADENOSINE THERAPEUTICS, LLC 2008-05-29 US disclosed
WO-2008027585-A2 PYRROLO[3,2-D]PYRIMIDINES THAT ARE SELECTIVE ANTAGONISTS OF A2B ADENOSINE RECEPTORS ADENOSINE THERAPEUTICS, LLC (US) 2008-03-06 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 (2 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-20080125425-A1 Pyrrolo[3,2-D] pyrimidines that are selective antagonists of A2badenosine receptors ADORA2B, ADORA2A, ADORA3 MAPT 4680/4885POLB 633/4885SMN1; SMN2 3877/4885
US-20090082347-A1 PYRROLO[3,2-D]PYRIMIDINES THAT ARE SELECTIVE ANTAGONISTS OF A2B ADENOSINE RECEPTORS ADORA2B, ADORA2A, ADORA3 MAPT 4693/4885POLB 287/4885SMN1; SMN2 4068/4885

“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.