SCHEMBL5260680

SCHEMBL5260680

NS(=O)(=O)c1ccc(-c2nc3ncccn3c2-c2ccc(Br)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 1/20 0.49
AKT2 P31751 1/20 0.49
CA2 P00918 8/20 0.47
CA9 Q16790 8/20 0.47
CA12 O43570 4/20 0.47
ROCK2 O75116 1/20 0.45
PIM1 P11309 1/20 0.45
GSK3B P49841 1/20 0.45
KDM4E B2RXH2 4/20 0.44
RAB9A P51151 4/20 0.44
ALDH1A1 P00352 3/20 0.44
NPC1 O15118 2/20 0.44
PTGS2 P35354 1/20 0.44
GAA P10253 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
GLA P06280 1/20 0.43
KLK7 P49862 1/20 0.42
CA1 P00915 6/20 0.41
CA4 P22748 4/20 0.41
CA5A P35218 1/20 0.41

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
SCHEMBL7215540 0.90 AKT1 (0.60) AKT1AKT2CA2CA9CA12
SCHEMBL7220425 0.88 PTGS2 (0.49) AKT1AKT2ROCK2PIM1GSK3B
SCHEMBL7220427 0.88 AKT1 (0.49) AKT1AKT2CA2CA9CA12
SCHEMBL7215327 0.88 AKT1 (0.49) AKT1AKT2ROCK2PIM1GSK3B
SCHEMBL7222717 0.85 KDM4E (0.59) AKT1AKT2CA2CA9CA12
SCHEMBL17658830 0.83 AKT1 (0.62) AKT1AKT2ROCK2PIM1GSK3B
SCHEMBL15978811 0.83 AKT1 (0.62) AKT1AKT2ROCK2PIM1GSK3B
SCHEMBL7217037 0.82 ROCK2 (0.49) AKT1AKT2CA2CA9CA12
SCHEMBL7220640 0.82 ROCK2 (0.49) AKT1AKT2CA2CA9CA12
SCHEMBL7215879 0.81 CA1 (0.51) AKT1AKT2CA2CA9CA12

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
EP-1660500-B1 SUBSTITUTED IMIDAZOPYRIMIDINES FOR THE PREVENTION AND TREATMENT OF CANCER S A L V A T LAB SA (ES) 2007-12-12 EP disclosed
US-20060189631-A1 Substituted imidazopyrimidines for the prevention and treatment of cancer LABORATORIOS S.A.L.V.A.T., S.A. (ES) 2006-08-24 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-20060189631-A1 Substituted imidazopyrimidines for the prevention and treatment of cancer BRCA1, CCNA1, DPYD AKT1 3579/4885AKT2 3297/4885CA2 4031/4885

“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.