SCHEMBL5364358

SCHEMBL5364358

Nc1nc(CCc2ccccc2)nc2nc(Br)[nH]c12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.43
ADORA1 P30542 2/20 0.43
ALDH1A1 P00352 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
RAB9A P51151 2/20 0.39
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ADORA2B P29275 1/20 0.38
NPC1 O15118 1/20 0.38
BACE1 P56817 1/20 0.38
PI4KA P42356 2/20 0.37
PI4K2B Q8TCG2 2/20 0.37
PI4K2A Q9BTU6 2/20 0.37
PI4KB Q9UBF8 2/20 0.37
LMNA P02545 1/20 0.36
MPO P05164 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36

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
SCHEMBL5357839 0.83 PNP (0.42) ADORA2AADORA1ALDH1A1NPSR1RAB9A
SCHEMBL5358015 0.81 PNP (0.42) ADORA2AADORA1ALDH1A1NPSR1RAB9A
SCHEMBL5364353 0.77 ADORA1 (0.43) ADORA2AADORA1ALDH1A1RAB9AMAPT
SCHEMBL5359005 0.75 MMP2 (0.47) RAB9AMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL28037851 0.71 PNP (0.59) ADORA2AADORA1MAPTKMT2AADORA2B
SCHEMBL2045845 0.69 PI4KA (0.49) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL4954191 0.69 HRH4 (0.39) ADORA2AADORA1
SCHEMBL5357833 0.67 ADORA1 (0.42) ADORA2AADORA1ALDH1A1RAB9AMAPT
SCHEMBL17843613 0.67 ADORA2A (0.46) ADORA2AADORA1ALDH1A1NPSR1ADORA2B
SCHEMBL8990708 0.66 ADORA1 (0.45) ADORA2AADORA1ALDH1A1ADORA2BMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7285543-B2 Purine inhibitors of fructose-1,6-bisphosphatase METABASIS THERAPEUTICS, INC. (US) 2007-10-23 US disclosed
US-20050277619-A1 Novel purine inhibitors of fructose-1,6-bisphosphatase DANG QUN 2005-12-15 US disclosed
US-6967193-B1 Purine inhibitors of fructose-1,6-bisphosphatase METABASIS THERAPEUTICS, INC. (US) 2005-11-22 US disclosed
US-6284748-B1 ANTIDIABETIC AGENT METABASIS THERAPEUTICS, INC. 2001-09-04 US disclosed
WO-1998039344-A9 NOVEL PURINE INHIBITORS OF FRUCTOSE-1,6-BISPHOSPHATASE 1999-01-21 WO disclosed
WO-1998039344-A1 NOVEL PURINE INHIBITORS OF FRUCTOSE-1,6-BISPHOSPHATASE METABASIS THERAPEUTICS, INC. (US) 1998-09-11 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-20050277619-A1 Novel purine inhibitors of fructose-1,6-bisphosphatase FBP1, PNP, PPA1 ADORA2A 319/4885ADORA1 127/4885ALDH1A1 429/4885

“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.