SCHEMBL8205660

SCHEMBL8205660

CC(=O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)C(OC(C)=O)C1OC(C)=O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.65
LMNA P02545 1/20 0.65
TP53 P04637 1/20 0.65
MAPT P10636 1/20 0.65
TDP1 Q9NUW8 1/20 0.65
PRKAB2 O43741 2/20 0.63
PRKAG1 P54619 2/20 0.63
PRKAA2 P54646 2/20 0.63
PRKAA1 Q13131 2/20 0.63
PRKAG3 Q9UGI9 2/20 0.63
PRKAG2 Q9UGJ0 2/20 0.63
PRKAB1 Q9Y478 2/20 0.63
P2RX3 P56373 2/20 0.56
P2RX4 Q99571 2/20 0.56
P2RX2 Q9UBL9 2/20 0.56
AHCY P23526 2/20 0.54
MARS1 P56192 1/20 0.54
ADORA1 P30542 4/20 0.53
SMN1; SMN2 Q16637 2/20 0.52
DNPH1 O43598 1/20 0.52

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
SCHEMBL4425824 1.00 ALDH1A1 (0.65) ALDH1A1LMNATP53MAPTTDP1
SCHEMBL31685764 1.00 ALDH1A1 (0.65) ALDH1A1LMNATP53MAPTTDP1
SCHEMBL19889158 1.00 ALDH1A1 (0.65) ALDH1A1LMNATP53MAPTTDP1
SCHEMBL11423681 1.00 ALDH1A1 (0.65) ALDH1A1LMNATP53MAPTTDP1
SCHEMBL13597931 1.00 ALDH1A1 (0.65) ALDH1A1LMNATP53MAPTTDP1
SCHEMBL23982402 1.00 ALDH1A1 (0.65) ALDH1A1LMNATP53MAPTTDP1
SCHEMBL10033986 1.00 ALDH1A1 (0.65) ALDH1A1LMNATP53MAPTTDP1
SCHEMBL6744875 0.92 AHCY (0.59) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL10587115 0.92 AHCY (0.59) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL9300768 0.91 PRKAB2 (0.56) ALDH1A1LMNATP53MAPTTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090324708-A1 COMPOUND HAVING INHIBITORY ACTIVITY ON A RHO-GTPASE CELL PROTEIN, A PROCESS FOR OBTAINING THE SAME, PHARMACEUTICAL COMPOSITIONS COMPRISING THEREOF AND A METHOD FOR THE TREATMENT OF RHO-GTPASE CELL PROTEIN-MEDIATED CONDITION UNIVERSIDAD NACIONAL DE QUILMES (AR) 2009-12-31 US disclosed
WO-2008055875-A1 COMPOUND HAVING INHIBITORY ACTIVITY ON A RHO-GTPASE CELL PROTEIN, A PROCESS FOR OBTAINING THE SAME, PHARMACEUTICAL COMPOSITIONS COMPRISION THEREOF AND A METHOD FOR THE TREATMENT OF A RHO-GTPASE CELL PROTEIN-MEDIATED CONDITION UNIVERSIDAD NACIONAL DE QUILMES (AR) 2008-05-15 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-20090324708-A1 COMPOUND HAVING INHIBITORY ACTIVITY ON A RHO-GTPASE CELL PROTEIN, A PROCESS FOR OBTAINING THE SAME, PHARMACEUTICAL COMPOSITIONS COMPRISING THEREOF AND A METHOD FOR THE TREATMENT OF RHO-GTPASE CELL PROTEIN-MEDIATED CONDITION RHOA, ARHGDIA, ARHGDIB ALDH1A1 4493/4885LMNA 4307/4885TP53 1708/4885

“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.