SCHEMBL1146282

SCHEMBL1146282

CCOc1nc(N)c2nc(OC)[nH]c2n1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.34
PDE4D Q08499 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
CYP1A2 P05177 1/20 0.33
MAT2A P31153 1/20 0.33
ADORA2A P29274 2/20 0.32
ADORA2B P29275 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
ADORA1 P30542 1/20 0.32
TLR7 Q9NYK1 3/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30

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
Trifluoroacetic Acid SCHEMBL434419 0.87 TLR7 (0.33) TLR7
SCHEMBL12157588 0.87 NCF1 (0.34) TLR7
SCHEMBL731519 0.85 TLR7 (0.41) TLR7
SCHEMBL2542341 0.85 TLR7 (0.41) TLR7
SCHEMBL4298076 0.84 MEN1 (0.39) MEN1KMT2ACYP1A2MAT2AADORA2A
SCHEMBL31124723 0.84 SLC29A1 (0.35) ADORA2AADORA2BTLR7
SCHEMBL2201765 0.83 TLR8 (0.35) ADORA2AADORA2B
SCHEMBL10383664 0.82 KMT2A (0.36) PDE4BPDE4DMEN1KMT2ACYP1A2
SCHEMBL31126581 0.81 TLR7 (0.39) ADORA2AADORA2BTLR7
SCHEMBL12157553 0.81 ADORA2A (0.38) ADORA2AADORA2BTLR7

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
WO-2012011606-A1 PROCESS FOR PREPARING ADENINE COMPOUNDS AND INTERMEDIATES THEREOF DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-01-26 WO disclosed
US-20110028715-A1 NOVEL ADENINE COMPOUND DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2011-02-03 US disclosed
US-20100093998-A1 NOVEL ADENINE COMPOUND DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-04-15 US disclosed
US-20100093998-A1 NOVEL ADENINE COMPOUND DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-04-15 US disclosed
EP-2133353-A1 NOVEL ADENINE COMPOUND Dainippon Sumitomo Pharma Co., Ltd. (JP) 2009-12-16 EP 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-20110028715-A1 NOVEL ADENINE COMPOUND NR0B2, NR0B1, BRD7 PDE4B 3371/4885PDE4D 4166/4885MEN1 3398/4885
US-20100093998-A1 NOVEL ADENINE COMPOUND NR0B2, NR0B1, BRD7 PDE4B 3334/4885PDE4D 4152/4885MEN1 3439/4885

“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.