SCHEMBL5357833

SCHEMBL5357833

Nc1nc(CCc2ccccc2)nc2[nH]c(CBr)nc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 6/20 0.42
ADORA2A P29274 3/20 0.42
ADORA2B P29275 2/20 0.42
RAB9A P51151 2/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPC1 O15118 1/20 0.39
ADORA3 P0DMS8 2/20 0.38
DHFR P00374 1/20 0.38
BACE1 P56817 1/20 0.36
TUBB4A P04350 1/20 0.35
TUBB P07437 1/20 0.35
TUBA3C P0DPH7 1/20 0.35
TUBA1B P68363 1/20 0.35
TUBA4A P68366 1/20 0.35
TUBB4B P68371 1/20 0.35
TUBB3 Q13509 1/20 0.35
TUBB2A Q13885 1/20 0.35
TUBB8 Q3ZCM7 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
SCHEMBL5358009 0.86 ADORA1 (0.43) ADORA1ADORA2AADORA2BRAB9AALDH1A1
SCHEMBL5364353 0.83 ADORA1 (0.43) ADORA1ADORA2AADORA2BRAB9AALDH1A1
SCHEMBL5362133 0.77 FBP1 (0.46) ADORA1ADORA2AADORA2BRAB9AALDH1A1
SCHEMBL5359002 0.74 MMP2 (0.45) ADORA1ADORA2AADORA2BSMN1; SMN2
SCHEMBL17802559 0.72 DHFR (0.53) DHFR
SCHEMBL5369183 0.72 ADORA1 (0.38) ADORA1ADORA2AADORA2BADORA3
SCHEMBL5363124 0.70 ADORA1 (0.46) ADORA1ADORA2AADORA2BADORA3
SCHEMBL5358350 0.70 FBP1 (0.46) ADORA1ADORA2AADORA2BDHFRBACE1
SCHEMBL6346439 0.70 FBP1 (0.46) ADORA1ADORA2AADORA2BSMN1; SMN2
SCHEMBL3923325 0.70 GAA (0.45) RAB9AALDH1A1MAPTNPC1DHFR

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 ADORA1 127/4885ADORA2A 319/4885ADORA2B 499/4885

“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.