SCHEMBL4762307

SCHEMBL4762307

COc1ccc(Cn2c(=O)c([N+](=O)[O-])c(C)n(Cc3ccoc3)c2=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DCTPP1 Q9H773 3/20 0.44
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
POLB P06746 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
MEN1 O00255 1/20 0.39
USP2 O75604 1/20 0.39
APEX1 P27695 1/20 0.39
RECQL P46063 1/20 0.39
KMT2A Q03164 1/20 0.39
MAPT P10636 4/20 0.39
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 3/20 0.39
ALOX15 P16050 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
RGS4 P49798 1/20 0.38
THRB P10828 1/20 0.37
MAPK1 P28482 2/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL4767339 0.90 HSPD1 (0.40) DCTPP1RAB9ANPC1POLBL3MBTL1
SCHEMBL4770686 0.90 DCTPP1 (0.51) DCTPP1RAB9ANPC1MEN1KMT2A
SCHEMBL4766012 0.85 PDE4A (0.38) DCTPP1POLBL3MBTL1MEN1KMT2A
SCHEMBL5780973 0.83 DCTPP1 (0.40) DCTPP1RAB9ANPC1POLBL3MBTL1
SCHEMBL5741824 0.82 PDE1A (0.47) DCTPP1RAB9ANPC1MEN1KMT2A
SCHEMBL4766297 0.81 HSPD1 (0.36) POLBL3MBTL1MEN1KMT2AALDH1A1
SCHEMBL4769603 0.81 DCTPP1 (0.46) DCTPP1RAB9ANPC1MEN1KMT2A
SCHEMBL4868188 0.81 DCTPP1 (0.38) DCTPP1RAB9ANPC1POLBL3MBTL1
SCHEMBL4762278 0.81 DCTPP1 (0.49) DCTPP1RAB9ANPC1POLBMEN1
SCHEMBL4762645 0.81 PARG (0.45) RAB9ANPC1POLBMEN1KMT2A

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
EP-1678181-B1 A2B ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS INC (US) 2008-12-31 EP disclosed
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
EP-1678181-A2 A2B ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS, INC. (US) 2006-07-12 EP disclosed
US-20050119287-A1 A2B adenosine receptor antagonists GILEAD PALO ALTO, INC. 2005-06-02 US disclosed
WO-2005042534-A2 A2B ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS, INC. (US) 2005-05-12 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-20050119287-A1 A2B adenosine receptor antagonists ADORA2B, ADORA2A, ADORA3 DCTPP1 3735/4885RAB9A 2087/4885NPC1 3709/4885

“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.