SCHEMBL2572149

SCHEMBL2572149

N#Cc1nc(Br)n(Cc2ccccc2)c1C#CCCO

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
MAPK14 Q16539 1/20 0.35
EGLN1 Q9GZT9 5/20 0.33
MAPT P10636 1/20 0.33
ALDH1A1 P00352 2/20 0.33
HPGD P15428 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TNF P01375 1/20 0.33
RAB9A P51151 1/20 0.32
CFTR P13569 1/20 0.32
CDK1 P06493 1/20 0.32
CCNB1 P14635 1/20 0.32
TSHR P16473 2/20 0.32
NPSR1 Q6W5P4 2/20 0.31
HIF1A Q16665 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
SRC P12931 1/20 0.31

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
SCHEMBL9219600 0.83 ADORA2A (0.43) ADORA2AADORA1MAPTALDH1A1HPGD
SCHEMBL2567869 0.73 ADORA2A (0.48) ADORA2AADORA1EGLN1MAPTALDH1A1
SCHEMBL13523411 0.71 ADORA2A (0.51) ADORA2AADORA1MAPTALDH1A1MEN1
SCHEMBL14839377 0.66 PNP (0.42) ADORA2AADORA1ALDH1A1MEN1KMT2A
SCHEMBL4838632 0.64 ADORA2A (0.49) ADORA2AADORA1MAPTALDH1A1HPGD
SCHEMBL15432549 0.64 CYP11B1 (0.40) ADORA2AMAPTALDH1A1HPGDTDP1
SCHEMBL19924941 0.63 ADORA2A (0.48) ADORA2AADORA1MAPTALDH1A1MEN1
SCHEMBL7205531 0.62 TSHR (0.43) EGLN1ALDH1A1HPGDMEN1KMT2A
SCHEMBL14944655 0.60 ADORA2A (0.61) ADORA2AADORA1ALDH1A1HPGDKMT2A
SCHEMBL6722156 0.60 TDP1 (0.46) MAPTALDH1A1HPGDTDP1MEN1

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-1987030-B1 3 -DEAZAPURINE DERIVATIVES AS TLR7 MODULATORS PFIZER LTD (GB) 2011-11-09 EP disclosed
US-7691877-B2 Pharmaceuticals PFIZER INC. (US) 2010-04-06 US disclosed
EP-1987030-A1 3 -DEAZAPURINE DERIVATIVES AS TLR7 MODULATORS Pfizer Limited (GB) 2008-11-05 EP disclosed
WO-2007093901-A1 3 -DEAZAPURINE DERIVATIVES AS TLR7 MODULATORS PFIZER LIMITED (GB) 2007-08-23 WO disclosed
US-20070197478-A1 NOVEL PHARMACEUTICALS PFIZER LIMITED 2007-08-23 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-20070197478-A1 NOVEL PHARMACEUTICALS TLR3, HAVCR2, TLR9 ADORA2A 263/4885ADORA1 505/4885MAPK14 985/4885

“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.