SCHEMBL4862736

SCHEMBL4862736

COc1ccc(Cn2c(-c3cnn(C)c3)c([N+](=O)[O-])c(=O)n(C(F)c3ccccc3)c2=O)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE1A P54750 3/20 0.40
PDE1B Q01064 3/20 0.40
PDE1C Q14123 3/20 0.40
DCTPP1 Q9H773 3/20 0.37
GABRA5 P31644 1/20 0.37
NPBWR1 P48145 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
PDE6D O43924 1/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
MAPK1 P28482 2/20 0.36
MAPT P10636 2/20 0.36
ALDH1A1 P00352 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
BLM P54132 1/20 0.36
GAA P10253 2/20 0.36
POLB P06746 1/20 0.36
TP53 P04637 1/20 0.35
MET P08581 1/20 0.35
PIK3CD O00329 1/20 0.35
P2RX4 Q99571 1/20 0.35

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
SCHEMBL4867858 0.90 PDE1A (0.39) PDE1APDE1BPDE1CDCTPP1GABRA5
SCHEMBL4866693 0.87 ADORA2A (0.38) PDE1APDE1BPDE1CDCTPP1GABRA5
SCHEMBL4864036 0.86 DCTPP1 (0.43) PDE1APDE1BPDE1CDCTPP1GABRA5
SCHEMBL4767913 0.85 MAPT (0.43) PDE1APDE1BPDE1CDCTPP1ADORA3
SCHEMBL4767908 0.85 MAPT (0.43) PDE1APDE1BPDE1CDCTPP1ADORA3
SCHEMBL4889399 0.85 NPBWR1 (0.41) PDE1APDE1BPDE1CDCTPP1NPBWR1
SCHEMBL4862734 0.82 MAPT (0.44) DCTPP1GABRA5SMN1; SMN2MAPTALDH1A1
SCHEMBL4790612 0.82 DCTPP1 (0.42) PDE1APDE1BPDE1CDCTPP1ADORA3
SCHEMBL4866434 0.82 BRD4 (0.38) DCTPP1ALDH1A1
SCHEMBL4769024 0.79 ADORA2B (0.43) PDE1APDE1BPDE1CGABRA5ADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7449473-B2 Substituted pyrrolo[3,2-d]pyrimidin-2,4-diones as A2b adenosine receptor antagonists CV THERAPEUTICS, INC. (US) 2008-11-11 US disclosed
US-20050119287-A1 A2B adenosine receptor antagonists GILEAD PALO ALTO, INC. 2005-06-02 US 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-20050119287-A1 A2B adenosine receptor antagonists ADORA2B, ADORA2A, ADORA3 PDE1A 912/4885PDE1B 545/4885PDE1C 1496/4885

“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.